| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 66.1 | Low | 93.7 | Very high | 236 Ų | 236 | 76.9 Ų | 76.9 | 100% | 1.163 | 38% | 0.375 | S | S | * | . | 0 | 125.8 | 0 | -166.9 | -177.2 | -55.4 | 0 | 0 | 106.6 | |||||
| 2 | E | 85.8 | Confident | 93.9 | Very high | 188 Ų | 188 | 70.5 Ų | 70.5 | 88% | 0.879 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 135.9 | 177.2 | -68.2 | -174.7 | 160.2 | 0 | 0 | 109.7 | ||
| 3 | K | 93.8 | Very high | 94 | Very high | 131 Ų | 131 | 67.8 Ų | 67.8 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 133 | 177.3 | -67.2 | -179.3 | 180 | 176.6 | 0 | 109.3 | L5 | K3-L5 PolarHBondContact O-N 3.09Š|
| 4 | P | 96.9 | Very high | 94 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 132.1 | 176.5 | 22.4 | -34.1 | 0 | 0 | 0 | 111.6 | G119 T120 S121 | P4-G119 CarbonylContact O-C 3.54Å; P4-G119 WeakPolarHBondContact O-CA 3.35Å; P4-T120 WeakPolarHBondContact CD-OG1 3.25Å; P4-T120 HydrophobicContact CG-CG2 4.47Å; P4-T120 WeakPolarHBondContact CG-OG1 3.34Å; P4-T120 PolarHBondContact O-N 3Å; P4-S121 WeakPolarHBondContact O-CB 3.23Å; P4-S121 PolarHBondContact O-N 3.36Å |
| 5 | L | 98.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -73 | 146.1 | 175.6 | -58.5 | -178 | 0 | 0 | 0 | 110.7 | K3 Q30 A124 V126 | K3-L5 PolarHBondContact O-N 3.09Å; L5-Q30 HydrophobicContact CD1-CG 4.27Å; L5-A124 HydrophobicContact CD2-CB 3.98Å; L5-V126 HydrophobicContact CB-CG1 4.3Å; L5-V126 HydrophobicContact CD1-CB 4.29Å; L5-V126 HydrophobicContact CD1-CG1 4.47Å |
| 6 | T | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 138.3 | 165.1 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | F73 V116 E117 G119 F125 V126 | T6-F73 HydrophobicContact CG2-CE2 3.59Å; T6-F73 HydrophobicContact CG2-CZ 4.17Å; T6-V116 HydrophobicContact CG2-CG1 4.03Å; T6-E117 WeakPolarHBondContact CG2-O 3.28Å; T6-G119 PolarHBondContact OG1-N 2.95Å; T6-G119 PolarHBondContact OG1-O 3.15Å; T6-F125 WeakPolarHBondContact O-CA 3.4Å; T6-F125 WeakPolarHBondContact O-CB 3.47Å; T6-V126 PolarHBondContact O-N 3.25Å |
| 7 | I | 98.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.7 | -175.7 | -52.7 | -178.6 | 0 | 0 | 0 | 110.3 | R9 V116 E117 V126 Y128 | I7-R9 HydrophobicContact CG2-CG 4.21Å; I7-V116 WeakPolarHBondContact O-CA 3.46Å; I7-E117 HydrophobicContact CB-CB 4.06Å; I7-E117 HydrophobicContact CB-CG 4.35Å; I7-E117 PolarHBondContact N-O 3.41Å; I7-E117 PolarHBondContact O-N 3.39Å; I7-V126 CarbonylContact C-O 3.54Å; I7-V126 WeakPolarHBondContact CA-O 3.39Å; I7-V126 HydrophobicContact CB-CG1 4.23Å; I7-V126 HydrophobicContact CG1-CG1 3.75Å; I7-V126 HydrophobicContact CG2-CG1 4.23Å; I7-Y128 HydrophobicContact CG2-CD2 3.55Å; I7-Y128 HydrophobicContact CG2-CE2 3.84Å |
| 8 | L | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 106.4 | 167.8 | -56.9 | -174 | 0 | 0 | 0 | 109.5 | V10 L60 F73 V114 R115 V116 F125 V126 C127 Y128 | L8-V10 HydrophobicContact CB-CG2 4.41Å; L8-V10 PolarHBondContact O-N 3.31Å; L8-L60 HydrophobicContact CD1-CD1 3.84Å; L8-F73 HydrophobicContact CD1-CD1 4.09Å; L8-F73 HydrophobicContact CD1-CE1 3.84Å; L8-F73 HydrophobicContact CD1-CZ 4.31Å; L8-F73 HydrophobicContact CD2-CD1 4.49Å; L8-F73 HydrophobicContact CD2-CD2 4.16Å; L8-F73 HydrophobicContact CD2-CE1 4.39Å; L8-F73 HydrophobicContact CD2-CE2 4.1Å; L8-F73 HydrophobicContact CD2-CG 4.38Å; L8-F73 HydrophobicContact CD2-CZ 4.21Å; L8-F73 HydrophobicContact CG-CE1 4.41Å; L8-F73 HydrophobicContact CG-CZ 4.39Å; L8-V114 HydrophobicContact CD2-CG1 4.39Å; L8-R115 CarbonylContact C-O 3.58Å; L8-R115 WeakPolarHBondContact CA-O 3.33Å; L8-V116 HydrophobicContact CD2-CB 4.29Å; L8-V116 HydrophobicContact CD2-CG1 4.09Å; L8-V116 HydrophobicContact CD2-CG2 3.82Å; L8-F125 HydrophobicContact CD1-CD2 3.88Å; L8-F125 HydrophobicContact CD1-CE2 3.69Å; L8-F125 HydrophobicContact CG-CD2 4.12Å; L8-F125 HydrophobicContact CG-CE2 4.43Å; L8-V126 PolarHBondContact N-O 3.02Å; L8-C127 CarbonylContact O-C 3.58Å; L8-C127 VanDerWaalsContact O-CA 3.25Å; L8-C127 WeakPolarHBondContact O-CA 3.44Å; L8-Y128 PolarHBondContact O-N 2.86Å |
| 9 | R | 98.5 | Very high | 91.6 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 38% | 0.381 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 112.7 | 168.7 | -61 | -168.1 | -174.5 | -77.2 | -16.5 | 109.4 | I7 V114 R115 E117 | I7-R9 HydrophobicContact CG2-CG 4.21Å; R9-V114 WeakPolarHBondContact O-CA 3.4Å; R9-R115 HydrophobicContact CB-CB 4.24Å; R9-R115 PolarHBondContact N-O 2.87Å; R9-R115 PolarHBondContact O-N 2.76Å; R9-E117 WeakPolarHBondContact CD-OE1 3.47Å; R9-E117 IonicContact CZ-OE1 3.56Å; R9-E117 IonicContact CZ-OE2 3.53Å; R9-E117 VanDerWaalsContact NE-CD 3.28Å; R9-E117 IonicContact NE-OE1 2.69Å; R9-E117 PolarHBondContact NE-OE1 3.2Å; R9-E117 IonicContact NE-OE2 3.32Å; R9-E117 PolarHBondContact NE-OE2 2.79Å; R9-E117 IonicContact NH2-OE1 3.53Å; R9-E117 IonicContact NH2-OE2 2.91Å; R9-E117 PolarHBondContact NH2-OE2 2.84Å |
| 10 | V | 98.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.8 | -176.8 | -178.8 | 0 | 0 | 0 | 0 | 109 | L8 L12 M112 L113 V114 Y128 F129 H130 | L8-V10 HydrophobicContact CB-CG2 4.41Å; L8-V10 PolarHBondContact O-N 3.31Å; V10-L12 HydrophobicContact CG1-CD2 4.12Å; V10-L12 HydrophobicContact CG1-CG 4.1Å; V10-M112 HydrophobicContact CG1-CE 3.43Å; V10-M112 VanDerWaalsContact CG1-CE 3.43Å; V10-M112 HydrophobicContact CG1-CG 4.13Å; V10-M112 HydrophobicContact CG1-SD 4.5Å; V10-M112 HydrophobicContact CG2-CE 4.31Å; V10-L113 CarbonylContact C-O 3.5Å; V10-L113 WeakPolarHBondContact CA-O 3.27Å; V10-V114 HydrophobicContact CG2-CG2 4.39Å; V10-Y128 PolarHBondContact N-O 2.72Å; V10-F129 HydrophobicContact CB-CD1 3.55Å; V10-F129 HydrophobicContact CB-CE1 3.8Å; V10-F129 HydrophobicContact CB-CG 4.43Å; V10-F129 HydrophobicContact CG1-CD1 3.66Å; V10-F129 HydrophobicContact CG1-CE1 3.88Å; V10-F129 HydrophobicContact CG2-CD1 4.14Å; V10-F129 HydrophobicContact CG2-CE1 3.87Å; V10-F129 CarbonylContact O-C 3.57Å; V10-F129 WeakPolarHBondContact O-CA 3.21Å; V10-H130 PolarHBondContact O-N 3.28Å |
| 11 | S | 97.5 | Very high | 91.1 | Very high | 24 Ų | 24 | 65.2 Ų | 65.2 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.3 | 167.5 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | M112 L113 H130 L136 | S11-M112 CarbonylContact O-C 3.49Å; S11-M112 VanDerWaalsContact O-CA 3.28Å; S11-M112 WeakPolarHBondContact O-CA 3.03Å; S11-L113 PolarHBondContact N-O 3.4Å; S11-L113 PolarHBondContact O-N 3.39Å; S11-H130 CarbonylContact C-O 3.54Å; S11-H130 VanDerWaalsContact CA-O 3.23Å; S11-H130 WeakPolarHBondContact CA-O 3.44Å; S11-L136 VanDerWaalsContact O-CD1 3.25Å; S11-L136 WeakPolarHBondContact O-CD1 3.22Å |
| 12 | L | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.4 | -178 | -65.3 | 168.8 | 0 | 0 | 0 | 110.3 | V10 F22 V25 I110 M112 F129 H130 V131 S132 | V10-L12 HydrophobicContact CG1-CD2 4.12Å; V10-L12 HydrophobicContact CG1-CG 4.1Å; L12-F22 HydrophobicContact CB-CD1 3.91Å; L12-F22 HydrophobicContact CB-CD2 4.37Å; L12-F22 HydrophobicContact CB-CE1 3.69Å; L12-F22 HydrophobicContact CB-CE2 4.15Å; L12-F22 HydrophobicContact CB-CG 4.25Å; L12-F22 HydrophobicContact CB-CZ 3.81Å; L12-F22 HydrophobicContact CD1-CD1 3.7Å; L12-F22 HydrophobicContact CD1-CE1 4.07Å; L12-F22 HydrophobicContact CD1-CG 4.33Å; L12-F22 HydrophobicContact CD2-CE1 4.26Å; L12-F22 HydrophobicContact CG-CD1 4.3Å; L12-F22 HydrophobicContact CG-CE1 4.22Å; L12-V25 HydrophobicContact CD1-CG1 4.16Å; L12-V25 HydrophobicContact CD1-CG2 4.07Å; L12-I110 HydrophobicContact CD2-CG2 4.43Å; L12-M112 HydrophobicContact CD2-CB 3.94Å; L12-M112 HydrophobicContact CD2-CG 3.78Å; L12-M112 HydrophobicContact CD2-SD 4.2Å; L12-F129 HydrophobicContact CD1-CD1 4.46Å; L12-H130 PolarHBondContact N-O 2.59Å; L12-V131 CarbonylContact O-C 3.56Å; L12-V131 WeakPolarHBondContact O-CA 3.16Å; L12-S132 PolarHBondContact O-N 3.21Å |
| 13 | Y | 95.5 | Very high | 92.4 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 140.6 | 175.9 | 172.3 | -100.7 | 0 | 0 | 0 | 110.4 | P15 Q111 S134 P135 | Y13-P15 HydrophobicContact CE1-CB 4.02Å; Y13-P15 WeakPolarHBondContact OH-CA 3.3Å; Y13-Q111 HydrophobicContact CD1-CB 4.18Å; Y13-Q111 HydrophobicContact CD1-CG 4.1Å; Y13-Q111 PolarHBondContact N-O 2.85Å; Y13-Q111 PolarHBondContact O-N 2.69Å; Y13-S134 VanDerWaalsContact CD2-C 3.48Å; Y13-S134 VanDerWaalsContact CD2-O 3.27Å; Y13-S134 WeakPolarHBondContact CD2-O 3.17Å; Y13-P135 HydrophobicContact CD1-CB 4.41Å; Y13-P135 HydrophobicContact CE1-CB 4Å; Y13-P135 HydrophobicContact CE1-CG 3.87Å; Y13-P135 HydrophobicContact CE2-CG 4.45Å |
| 14 | H | 93.6 | Very high | 92.2 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | trans | -135.7 | 126.3 | 171.4 | -169.5 | -68.1 | 0 | 0 | 0 | 108.5 | T16 L17 G18 A21 F22 | H14-T16 PolarHBondContact CE1-OG1 2.97Å; H14-T16 PolarHBondContact ND1-N 3.33Å; H14-T16 PolarHBondContact ND1-OG1 3.46Å; H14-T16 PolarHBondContact O-N 2.95Å; H14-L17 PolarHBondContact ND1-N 3.22Å; H14-L17 VanDerWaalsContact ND1-N 3.2Å; H14-G18 PolarHBondContact O-N 2.89Å; H14-A21 HydrophobicContact CB-CB 4.09Å; H14-F22 HydrophobicContact CB-CE2 3.77Å; H14-F22 HydrophobicContact CB-CZ 3.79Å | ||
| 15 | P | 89.6 | Confident | 91.9 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 51% | 0.506 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -36.4 | -167.8 | 24.1 | -33.9 | 0 | 0 | 0 | 114.4 | Y13 G109 | Y13-P15 HydrophobicContact CE1-CB 4.02Å; Y13-P15 WeakPolarHBondContact OH-CA 3.3Å; P15-G109 WeakPolarHBondContact CD-O 3.35Å |
| 16 | T | 87 | Confident | 91.6 | Very high | 118 Ų | 118 | 44.4 Ų | 44.4 | 72% | 0.724 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -49.8 | -175.5 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | H14 G18 | H14-T16 PolarHBondContact CE1-OG1 2.97Å; H14-T16 PolarHBondContact ND1-N 3.33Å; H14-T16 PolarHBondContact ND1-OG1 3.46Å; H14-T16 PolarHBondContact O-N 2.95Å; T16-G18 VanDerWaalsContact C-N 3.29Å; T16-G18 PolarHBondContact O-N 3.23Å |
| 17 | L | 84.7 | Confident | 91.5 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16.8 | -177 | -63.1 | 173.5 | 0 | 0 | 0 | 113.8 | H14 S20 A21 L50 | H14-L17 PolarHBondContact ND1-N 3.22Å; H14-L17 VanDerWaalsContact ND1-N 3.2Å; L17-S20 PolarHBondContact O-N 2.83Å; L17-S20 PolarHBondContact O-OG 3.45Å; L17-A21 HydrophobicContact CB-CB 3.83Å; L17-A21 HydrophobicContact CD1-CB 4.4Å; L17-L50 HydrophobicContact CD1-CD2 3.17Å |
| 18 | G | 81 | Confident | 91.4 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | 53.7 | -141.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H14 T16 S20 A21 | H14-G18 PolarHBondContact O-N 2.89Å; T16-G18 VanDerWaalsContact C-N 3.29Å; T16-G18 PolarHBondContact O-N 3.23Å; G18-S20 PolarHBondContact O-N 2.7Å; G18-A21 PolarHBondContact O-N 2.79Å |
| 19 | P | 83.1 | Confident | 91.4 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -61.6 | -25.6 | -178.8 | -24.7 | 34.9 | 0 | 0 | 0 | 115.3 | A21 F22 A23 V131 | P19-A21 PolarHBondContact O-N 2.91Å; P19-F22 CarbonylContact O-C 3.59Å; P19-F22 PolarHBondContact O-N 2.82Å; P19-A23 PolarHBondContact O-N 3.08Å; P19-V131 HydrophobicContact CB-CG1 4.32Å; P19-V131 HydrophobicContact CG-CG1 4.41Å |
| 20 | S | 86.4 | Confident | 91.3 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -63.4 | -29.7 | -178.1 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | L17 G18 F22 A23 | L17-S20 PolarHBondContact O-N 2.83Å; L17-S20 PolarHBondContact O-OG 3.45Å; G18-S20 PolarHBondContact O-N 2.7Å; S20-F22 PolarHBondContact O-N 3.08Å; S20-F22 VanDerWaalsContact O-N 3.15Å; S20-A23 PolarHBondContact O-N 2.88Å |
| 21 | A | 85.9 | Confident | 91.3 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -60.9 | -22.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H14 L17 G18 P19 L50 | H14-A21 HydrophobicContact CB-CB 4.09Å; L17-A21 HydrophobicContact CB-CB 3.83Å; L17-A21 HydrophobicContact CD1-CB 4.4Å; G18-A21 PolarHBondContact O-N 2.79Å; P19-A21 PolarHBondContact O-N 2.91Å; A21-L50 HydrophobicContact CB-CD2 3.83Å; A21-L50 HydrophobicContact CB-CG 4.49Å |
| 22 | F | 91.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -119.5 | 16.8 | -171.6 | -50.3 | -67.8 | 0 | 0 | 0 | 112.4 | L12 H14 P19 S20 N24 V25 L48 I110 V131 | L12-F22 HydrophobicContact CB-CD1 3.91Å; L12-F22 HydrophobicContact CB-CD2 4.37Å; L12-F22 HydrophobicContact CB-CE1 3.69Å; L12-F22 HydrophobicContact CB-CE2 4.15Å; L12-F22 HydrophobicContact CB-CG 4.25Å; L12-F22 HydrophobicContact CB-CZ 3.81Å; L12-F22 HydrophobicContact CD1-CD1 3.7Å; L12-F22 HydrophobicContact CD1-CE1 4.07Å; L12-F22 HydrophobicContact CD1-CG 4.33Å; L12-F22 HydrophobicContact CD2-CE1 4.26Å; L12-F22 HydrophobicContact CG-CD1 4.3Å; L12-F22 HydrophobicContact CG-CE1 4.22Å; H14-F22 HydrophobicContact CB-CE2 3.77Å; H14-F22 HydrophobicContact CB-CZ 3.79Å; P19-F22 CarbonylContact O-C 3.59Å; P19-F22 PolarHBondContact O-N 2.82Å; S20-F22 PolarHBondContact O-N 3.08Å; S20-F22 VanDerWaalsContact O-N 3.15Å; F22-N24 PolarHBondContact O-N 3.29Å; F22-V25 HydrophobicContact CB-CB 4.35Å; F22-V25 HydrophobicContact CB-CG2 3.88Å; F22-V25 HydrophobicContact CD1-CG2 4.35Å; F22-V25 VanDerWaalsContact O-CB 3.29Å; F22-V25 WeakPolarHBondContact O-CB 3.36Å; F22-V25 WeakPolarHBondContact O-CG2 3.08Å; F22-V25 PolarHBondContact O-N 2.85Å; F22-L48 HydrophobicContact CD1-CD2 3.82Å; F22-L48 HydrophobicContact CE1-CD1 4.37Å; F22-L48 HydrophobicContact CE1-CD2 4.4Å; F22-I110 HydrophobicContact CE1-CG2 4.24Å; F22-I110 HydrophobicContact CZ-CG2 4.2Å; F22-V131 HydrophobicContact CB-CG2 3.67Å; F22-V131 HydrophobicContact CD2-CG1 3.77Å; F22-V131 HydrophobicContact CD2-CG2 4.04Å; F22-V131 HydrophobicContact CE2-CG1 4.36Å; F22-V131 HydrophobicContact CG-CG2 4.09Å |
| 23 | A | 87.9 | Confident | 91.3 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 65% | 0.653 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P19 S20 | P19-A23 PolarHBondContact O-N 3.08Å; S20-A23 PolarHBondContact O-N 2.88Å |
| 24 | N | 88.5 | Confident | 91.5 | Very high | 94 Ų | 94 | 63.8 Ų | 63.8 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 5.1 | 179.7 | -62.3 | -23.2 | 0 | 0 | 0 | 113.5 | F22 P26 Q49 | F22-N24 PolarHBondContact O-N 3.29Å; N24-P26 WeakPolarHBondContact O-CD 3.37Å; N24-Q49 WeakPolarHBondContact ND2-CG 2.99Å |
| 25 | V | 90.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | trans | -78.9 | 117.6 | 178.5 | 174 | 0 | 0 | 0 | 0 | 108.7 | L12 F22 L46 L48 F129 | L12-V25 HydrophobicContact CD1-CG1 4.16Å; L12-V25 HydrophobicContact CD1-CG2 4.07Å; F22-V25 HydrophobicContact CB-CB 4.35Å; F22-V25 HydrophobicContact CB-CG2 3.88Å; F22-V25 HydrophobicContact CD1-CG2 4.35Å; F22-V25 VanDerWaalsContact O-CB 3.29Å; F22-V25 WeakPolarHBondContact O-CB 3.36Å; F22-V25 WeakPolarHBondContact O-CG2 3.08Å; F22-V25 PolarHBondContact O-N 2.85Å; V25-L46 HydrophobicContact CB-CD1 4.07Å; V25-L46 HydrophobicContact CG1-CD1 3.61Å; V25-L46 HydrophobicContact CG2-CD1 3.69Å; V25-L46 HydrophobicContact CG2-CG 4.4Å; V25-L48 HydrophobicContact CG2-CD2 3.38Å; V25-F129 HydrophobicContact CG1-CB 3.46Å; V25-F129 VanDerWaalsContact CG1-CB 3.46Å; V25-F129 HydrophobicContact CG1-CD1 3.85Å; V25-F129 HydrophobicContact CG1-CD2 4.16Å; V25-F129 HydrophobicContact CG1-CG 3.55Å | ||
| 26 | P | 93.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -68.5 | 150.9 | 176.2 | 30.4 | -35.1 | 0 | 0 | 0 | 109.9 | N24 R28 L29 F129 | N24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-R28 PolarHBondContact O-N 2.95Å; P26-L29 HydrophobicContact CG-CB 4.44Å; P26-F129 HydrophobicContact CG-CE2 4.48Å; P26-F129 WeakPolarHBondContact O-CB 3.5Å; P26-F129 WeakPolarHBondContact O-CD2 3.42Å | ||
| 27 | P | 94.9 | Very high | 92.6 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 68% | 0.682 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -67.6 | -26.7 | 177.4 | 26.6 | -34.4 | 0 | 0 | 0 | 112.6 | Y128 F129 | P27-Y128 WeakPolarHBondContact O-CA 3.22Å; P27-F129 PolarHBondContact O-N 3.38Å |
| 28 | R | 97.4 | Very high | 93.2 | Very high | 131 Ų | 131 | 54.5 Ų | 54.5 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.7 | 179.9 | -177.8 | -176.4 | 172.8 | -143.6 | -5.1 | 110 | P26 V126 C127 Y128 | P26-R28 PolarHBondContact O-N 2.95Å; R28-V126 HydrophobicContact CG-CG2 3.75Å; R28-C127 CarbonylContact C-O 3.59Å; R28-C127 VanDerWaalsContact CA-O 3.27Å; R28-C127 WeakPolarHBondContact CA-O 3.29Å; R28-Y128 HydrophobicContact CB-CD1 4.27Å; R28-Y128 HydrophobicContact CB-CE1 4.29Å; R28-Y128 HydrophobicContact CG-CD1 4.24Å; R28-Y128 HydrophobicContact CG-CE1 3.93Å |
| 29 | L | 97.5 | Very high | 93.9 | Very high | 44 Ų | 44 | 53.5 Ų | 53.5 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 119.4 | 172.3 | 178.3 | 63.3 | 0 | 0 | 0 | 109.4 | P26 L36 H45 V126 C127 F129 | P26-L29 HydrophobicContact CG-CB 4.44Å; L29-L36 HydrophobicContact CD2-CD1 3.66Å; L29-H45 HydrophobicContact CD2-CB 4.22Å; L29-V126 CarbonylContact O-C 3.57Å; L29-V126 WeakPolarHBondContact O-CA 3.44Å; L29-C127 HydrophobicContact CB-CB 4.4Å; L29-C127 PolarHBondContact N-O 3.44Å; L29-C127 PolarHBondContact O-N 3.37Å; L29-F129 HydrophobicContact CB-CE2 3.86Å |
| 30 | Q | 97.7 | Very high | 94.5 | Very high | 113 Ų | 113 | 54 Ų | 54 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136.2 | 165.8 | -174.5 | 172.1 | -48.4 | 0 | 0 | 108.7 | L5 | L5-Q30 HydrophobicContact CD1-CG 4.27Å |
| 31 | H | 98.2 | Very high | 94.8 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149 | -177 | -159.2 | 53.4 | 0 | 0 | 0 | 110.2 | S34 L36 H45 A124 F125 | H31-S34 PolarHBondContact CD2-O 3.16Å; H31-S34 PolarHBondContact NE2-O 3.15Å; H31-S34 PolarHBondContact NE2-OG 3.36Å; H31-L36 HydrophobicContact CB-CD1 4.35Å; H31-H45 AromaticContact CE1-CD2 3.99Å; H31-H45 AromaticContact CE1-CE1 3.33Å; H31-H45 PolarHBondContact CE1-CE1 2.89Å; H31-H45 AromaticContact CE1-ND1 3.66Å; H31-H45 AromaticContact CE1-NE2 3.55Å; H31-H45 AromaticContact NE2-CE1 3.62Å; H31-H45 AromaticContact NE2-ND1 3.8Å; H31-A124 CarbonylContact O-C 3.59Å; H31-A124 VanDerWaalsContact O-CA 3.23Å; H31-A124 WeakPolarHBondContact O-CA 3.32Å; H31-A124 VanDerWaalsContact O-CB 3.27Å; H31-A124 WeakPolarHBondContact O-CB 3.27Å; H31-F125 HydrophobicContact CB-CD1 4.47Å; H31-F125 HydrophobicContact CB-CE1 3.99Å; H31-F125 HydrophobicContact CB-CE2 4.06Å; H31-F125 HydrophobicContact CB-CZ 3.78Å; H31-F125 AromaticContact CD2-CE1 3.79Å; H31-F125 AromaticContact CD2-CZ 3.59Å; H31-F125 PolarHBondContact N-O 3.22Å; H31-F125 PolarHBondContact O-N 3.32Å |
| 32 | D | 97.3 | Very high | 95.1 | Very high | 88 Ų | 88 | 59.3 Ų | 59.3 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -169.2 | 170.4 | 63.6 | 14.4 | 0 | 0 | 0 | 110.2 | S34 F125 | D32-S34 PolarHBondContact O-N 2.69Å; D32-S34 WeakPolarHBondContact OD1-CB 3.49Å; D32-S34 PolarHBondContact OD1-N 3.33Å; D32-S34 PolarHBondContact OD1-OG 3.4Å; D32-F125 WeakPolarHBondContact O-CD1 3.36Å; D32-F125 WeakPolarHBondContact O-CE1 3.33Å |
| 33 | T | 96.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -84.6 | 16.8 | 178 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | P62 L71 L122 | T33-P62 VanDerWaalsContact O-CG 3.22Å; T33-P62 WeakPolarHBondContact O-CG 3.39Å; T33-L71 HydrophobicContact CG2-CD1 4.07Å; T33-L71 HydrophobicContact CG2-CD2 4.15Å; T33-L122 WeakPolarHBondContact CG2-O 3.15Å |
| 34 | S | 97.8 | Very high | 95.4 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -77.6 | 162.7 | 169.5 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | H31 D32 L36 | H31-S34 PolarHBondContact CD2-O 3.16Å; H31-S34 PolarHBondContact NE2-O 3.15Å; H31-S34 PolarHBondContact NE2-OG 3.36Å; D32-S34 PolarHBondContact O-N 2.69Å; D32-S34 WeakPolarHBondContact OD1-CB 3.49Å; D32-S34 PolarHBondContact OD1-N 3.33Å; D32-S34 PolarHBondContact OD1-OG 3.4Å; S34-L36 PolarHBondContact O-N 2.92Å |
| 35 | P | 98.3 | Very high | 95.7 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | trans | -62.3 | 122.8 | 177.4 | -26.6 | 36.7 | 0 | 0 | 0 | 113.1 | L37 E61 | P35-L37 PolarHBondContact O-N 3.4Å; P35-L37 VanDerWaalsContact O-N 3.15Å; P35-E61 HydrophobicContact CB-CG 4.18Å; P35-E61 HydrophobicContact CG-CG 4.49Å | ||
| 36 | L | 98.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 103.3 | 175.1 | -174.9 | 77.9 | 0 | 0 | 0 | 110.7 | L29 H31 S34 H45 S59 L60 F125 | L29-L36 HydrophobicContact CD2-CD1 3.66Å; H31-L36 HydrophobicContact CB-CD1 4.35Å; S34-L36 PolarHBondContact O-N 2.92Å; L36-H45 HydrophobicContact CD1-CB 3.63Å; L36-H45 HydrophobicContact CG-CB 4.47Å; L36-S59 VanDerWaalsContact O-CA 3.3Å; L36-S59 WeakPolarHBondContact O-CA 3.38Å; L36-L60 HydrophobicContact CB-CB 4.27Å; L36-L60 HydrophobicContact CD2-CD1 4.2Å; L36-L60 PolarHBondContact N-O 2.97Å; L36-L60 PolarHBondContact O-N 3.09Å; L36-F125 HydrophobicContact CB-CZ 4.06Å; L36-F125 HydrophobicContact CD2-CE2 4.36Å |
| 37 | L | 98.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.6 | -179.6 | -57.4 | -179 | 0 | 0 | 0 | 113.6 | P35 A44 H45 L46 L78 | P35-L37 PolarHBondContact O-N 3.4Å; P35-L37 VanDerWaalsContact O-N 3.15Å; L37-A44 HydrophobicContact CB-CB 4.42Å; L37-H45 PolarHBondContact N-ND1 2.83Å; L37-H45 VanDerWaalsContact N-ND1 3.16Å; L37-H45 PolarHBondContact O-N 2.93Å; L37-L46 PolarHBondContact O-N 2.81Å; L37-L78 HydrophobicContact CD2-CD1 3.75Å |
| 38 | L | 97.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.1 | 168.9 | -176.8 | 164 | 0 | 0 | 0 | 109.7 | L46 L48 L53 H57 L58 F107 M112 | L38-L46 HydrophobicContact CB-CB 4.35Å; L38-L46 HydrophobicContact CD1-CD2 3.66Å; L38-L46 HydrophobicContact CG-CB 4.33Å; L38-L46 HydrophobicContact CG-CD2 3.97Å; L38-L46 HydrophobicContact CG-CG 4.46Å; L38-L48 HydrophobicContact CD1-CD1 4.39Å; L38-L48 HydrophobicContact CD2-CD1 3.95Å; L38-L48 HydrophobicContact CG-CD1 4.24Å; L38-L53 HydrophobicContact CD2-CD2 4.23Å; L38-H57 HydrophobicContact CD2-CB 4.18Å; L38-H57 WeakPolarHBondContact O-CB 3.24Å; L38-H57 PolarHBondContact O-N 3.26Å; L38-L58 HydrophobicContact CB-CD1 3.75Å; L38-L58 HydrophobicContact CB-CG 4.04Å; L38-L58 HydrophobicContact CD1-CD1 4.03Å; L38-L58 HydrophobicContact CD1-CD2 4.44Å; L38-L58 HydrophobicContact CD1-CG 4.3Å; L38-L58 HydrophobicContact CD2-CG 4.29Å; L38-L58 HydrophobicContact CG-CD1 4.4Å; L38-L58 HydrophobicContact CG-CG 4.45Å; L38-L58 PolarHBondContact N-O 3.26Å; L38-L58 PolarHBondContact O-N 2.92Å; L38-F107 HydrophobicContact CD1-CZ 3.9Å; L38-F107 HydrophobicContact CD2-CE2 3.77Å; L38-F107 HydrophobicContact CD2-CZ 3.88Å; L38-M112 HydrophobicContact CD1-CE 4.21Å; L38-M112 HydrophobicContact CD1-SD 4.02Å |
| 39 | G | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -165.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L46 Q47 L48 S54 R55 | G39-L46 PolarHBondContact N-O 3.24Å; G39-L46 VanDerWaalsContact N-O 3.09Å; G39-L46 VanDerWaalsContact O-O 3.12Å; G39-Q47 CarbonylContact O-C 3.47Å; G39-Q47 VanDerWaalsContact O-CA 3.27Å; G39-Q47 WeakPolarHBondContact O-CA 3.43Å; G39-L48 PolarHBondContact O-N 2.96Å; G39-S54 WeakPolarHBondContact CA-O 3.37Å; G39-R55 CarbonylContact C-O 3.54Å; G39-R55 WeakPolarHBondContact CA-O 3.25Å |
| 40 | R | 94.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 50.4 Ų | 50.4 | 42% | 0.415 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -101.1 | -2.8 | 174 | 72.9 | 173 | 178.3 | 91.4 | -2.8 | 114.2 | L48 L53 S54 R55 | R40-L48 WeakPolarHBondContact CB-O 3.49Å; R40-L53 HydrophobicContact CB-CB 4.45Å; R40-L53 WeakPolarHBondContact CD-O 3.23Å; R40-L53 WeakPolarHBondContact CG-O 3.27Å; R40-L53 PolarHBondContact NE-O 3.35Å; R40-S54 PolarHBondContact N-O 3.01Å; R40-R55 HydrophobicContact CG-CG 4.46Å; R40-R55 PolarHBondContact N-O 3.27Å |
| 41 | G | 93.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 50 Ų | 50 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -74.7 | 153 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D43 A44 Q47 R55 | G41-D43 WeakPolarHBondContact CA-OD1 3.27Å; G41-D43 PolarHBondContact O-N 2.72Å; G41-A44 WeakPolarHBondContact O-CB 3.49Å; G41-A44 PolarHBondContact O-N 2.91Å; G41-A44 VanDerWaalsContact O-N 3.09Å; G41-Q47 WeakPolarHBondContact O-CG 3.35Å; G41-R55 PolarHBondContact N-O 2.8Å |
| 42 | Q | 91.3 | Very high | 93.4 | Very high | 188 Ų | 188 | 56.7 Ų | 56.7 | 88% | 0.879 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.2 | 175.1 | -69.6 | -178.8 | -13.7 | 0 | 0 | 112.8 | A44 Q47 | Q42-A44 VanDerWaalsContact C-N 3.35Å; Q42-Q47 PolarHBondContact O-NE2 3.36Å |
| 43 | D | 91.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.2 | 177 | 61.7 | -36.3 | 0 | 0 | 0 | 113.4 | G41 R56 | G41-D43 WeakPolarHBondContact CA-OD1 3.27Å; G41-D43 PolarHBondContact O-N 2.72Å; D43-R56 IonicContact OD2-CZ 3.13Å; D43-R56 IonicContact OD2-NE 2.69Å; D43-R56 PolarHBondContact OD2-NE 2.91Å; D43-R56 IonicContact OD2-NH2 2.72Å; D43-R56 PolarHBondContact OD2-NH2 2.84Å |
| 44 | A | 94.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | trans | -82.6 | 140.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L37 G41 Q42 Q47 | L37-A44 HydrophobicContact CB-CB 4.42Å; G41-A44 WeakPolarHBondContact O-CB 3.49Å; G41-A44 PolarHBondContact O-N 2.91Å; G41-A44 VanDerWaalsContact O-N 3.09Å; Q42-A44 VanDerWaalsContact C-N 3.35Å; A44-Q47 HydrophobicContact CB-CG 4.2Å; A44-Q47 WeakPolarHBondContact O-CG 3.22Å; A44-Q47 PolarHBondContact O-NE2 2.75Å | ||
| 45 | H | 95.5 | Very high | 93 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -74.5 | -39.5 | 174.3 | -55 | 120.1 | 0 | 0 | 0 | 111.1 | L29 H31 L36 L37 | L29-H45 HydrophobicContact CD2-CB 4.22Å; H31-H45 AromaticContact CE1-CD2 3.99Å; H31-H45 AromaticContact CE1-CE1 3.33Å; H31-H45 PolarHBondContact CE1-CE1 2.89Å; H31-H45 AromaticContact CE1-ND1 3.66Å; H31-H45 AromaticContact CE1-NE2 3.55Å; H31-H45 AromaticContact NE2-CE1 3.62Å; H31-H45 AromaticContact NE2-ND1 3.8Å; L36-H45 HydrophobicContact CD1-CB 3.63Å; L36-H45 HydrophobicContact CG-CB 4.47Å; L37-H45 PolarHBondContact N-ND1 2.83Å; L37-H45 VanDerWaalsContact N-ND1 3.16Å; L37-H45 PolarHBondContact O-N 2.93Å |
| 46 | L | 93.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 95.9 | 171.6 | -168.5 | 69.4 | 0 | 0 | 0 | 109.9 | V25 L37 L38 G39 L48 F129 | V25-L46 HydrophobicContact CB-CD1 4.07Å; V25-L46 HydrophobicContact CG1-CD1 3.61Å; V25-L46 HydrophobicContact CG2-CD1 3.69Å; V25-L46 HydrophobicContact CG2-CG 4.4Å; L37-L46 PolarHBondContact O-N 2.81Å; L38-L46 HydrophobicContact CB-CB 4.35Å; L38-L46 HydrophobicContact CD1-CD2 3.66Å; L38-L46 HydrophobicContact CG-CB 4.33Å; L38-L46 HydrophobicContact CG-CD2 3.97Å; L38-L46 HydrophobicContact CG-CG 4.46Å; G39-L46 PolarHBondContact N-O 3.24Å; G39-L46 VanDerWaalsContact N-O 3.09Å; G39-L46 VanDerWaalsContact O-O 3.12Å; L46-L48 HydrophobicContact CD2-CD2 4.48Å; L46-L48 HydrophobicContact CG-CD2 4.13Å; L46-F129 HydrophobicContact CD1-CD1 4.04Å; L46-F129 HydrophobicContact CD1-CE1 3.66Å; L46-F129 HydrophobicContact CD1-CE2 4.41Å; L46-F129 HydrophobicContact CD1-CZ 3.86Å; L46-F129 HydrophobicContact CD2-CD1 4.35Å; L46-F129 HydrophobicContact CD2-CE1 3.74Å; L46-F129 HydrophobicContact CD2-CZ 4.45Å; L46-F129 HydrophobicContact CG-CE1 4.31Å |
| 47 | Q | 92.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.1 | -178.3 | -62.5 | -173.6 | 17.2 | 0 | 0 | 111.6 | G39 G41 Q42 A44 | G39-Q47 CarbonylContact O-C 3.47Å; G39-Q47 VanDerWaalsContact O-CA 3.27Å; G39-Q47 WeakPolarHBondContact O-CA 3.43Å; G41-Q47 WeakPolarHBondContact O-CG 3.35Å; Q42-Q47 PolarHBondContact O-NE2 3.36Å; A44-Q47 HydrophobicContact CB-CG 4.2Å; A44-Q47 WeakPolarHBondContact O-CG 3.22Å; A44-Q47 PolarHBondContact O-NE2 2.75Å |
| 48 | L | 91.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -111 | 124.7 | 176.5 | -50.6 | -176.6 | 0 | 0 | 0 | 109.7 | F22 V25 L38 G39 R40 L46 L50 L53 I110 | F22-L48 HydrophobicContact CD1-CD2 3.82Å; F22-L48 HydrophobicContact CE1-CD1 4.37Å; F22-L48 HydrophobicContact CE1-CD2 4.4Å; V25-L48 HydrophobicContact CG2-CD2 3.38Å; L38-L48 HydrophobicContact CD1-CD1 4.39Å; L38-L48 HydrophobicContact CD2-CD1 3.95Å; L38-L48 HydrophobicContact CG-CD1 4.24Å; G39-L48 PolarHBondContact O-N 2.96Å; R40-L48 WeakPolarHBondContact CB-O 3.49Å; L46-L48 HydrophobicContact CD2-CD2 4.48Å; L46-L48 HydrophobicContact CG-CD2 4.13Å; L48-L50 VanDerWaalsContact C-N 3.27Å; L48-L50 HydrophobicContact CB-CD1 4.45Å; L48-L50 PolarHBondContact O-N 2.88Å; L48-L53 HydrophobicContact CB-CD2 3.63Å; L48-L53 HydrophobicContact CD1-CD2 4.2Å; L48-L53 HydrophobicContact CG-CD2 4.26Å; L48-I110 HydrophobicContact CD1-CD1 3.61Å | ||
| 49 | Q | 84.9 | Confident | 92.9 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | trans | -86.6 | 66.4 | -175.1 | -66.2 | -63.3 | -18.7 | 0 | 0 | 111.2 | N24 | N24-Q49 WeakPolarHBondContact ND2-CG 2.99Š| ||
| 50 | L | 87.6 | Confident | 93 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | trans | -118.4 | 129 | -178.2 | -66.2 | 174.5 | 0 | 0 | 0 | 110.9 | L17 A21 L48 H52 L53 I110 | L17-L50 HydrophobicContact CD1-CD2 3.17Å; A21-L50 HydrophobicContact CB-CD2 3.83Å; A21-L50 HydrophobicContact CB-CG 4.49Å; L48-L50 VanDerWaalsContact C-N 3.27Å; L48-L50 HydrophobicContact CB-CD1 4.45Å; L48-L50 PolarHBondContact O-N 2.88Å; L50-H52 VanDerWaalsContact C-N 3.28Å; L50-H52 PolarHBondContact O-N 2.9Å; L50-L53 HydrophobicContact CB-CB 4Å; L50-L53 WeakPolarHBondContact O-CB 3.35Å; L50-L53 PolarHBondContact O-N 2.99Å; L50-L53 VanDerWaalsContact O-N 3.12Å; L50-I110 HydrophobicContact CD1-CD1 3.18Å; L50-I110 HydrophobicContact CD1-CG1 3.5Å; L50-I110 VanDerWaalsContact CD1-CG1 3.5Å | ||
| 51 | P | 82.7 | Confident | 93.2 | Very high | 104 Ų | 104 | 55.3 Ų | 55.3 | 68% | 0.675 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.5 | -171.7 | 21.7 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 52 | H | 86.8 | Confident | 93.4 | Very high | 160 Ų | 160 | 56 Ų | 56 | 74% | 0.741 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.4 | -178.5 | -56.9 | -59.9 | 0 | 0 | 0 | 114 | L50 | L50-H52 VanDerWaalsContact C-N 3.28Å; L50-H52 PolarHBondContact O-N 2.9Å |
| 53 | L | 93.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -81.3 | 144.7 | 179 | -161.8 | 70.9 | 0 | 0 | 0 | 110.9 | L38 R40 L48 L50 H57 F107 I110 | L38-L53 HydrophobicContact CD2-CD2 4.23Å; R40-L53 HydrophobicContact CB-CB 4.45Å; R40-L53 WeakPolarHBondContact CD-O 3.23Å; R40-L53 WeakPolarHBondContact CG-O 3.27Å; R40-L53 PolarHBondContact NE-O 3.35Å; L48-L53 HydrophobicContact CB-CD2 3.63Å; L48-L53 HydrophobicContact CD1-CD2 4.2Å; L48-L53 HydrophobicContact CG-CD2 4.26Å; L50-L53 HydrophobicContact CB-CB 4Å; L50-L53 WeakPolarHBondContact O-CB 3.35Å; L50-L53 PolarHBondContact O-N 2.99Å; L50-L53 VanDerWaalsContact O-N 3.12Å; L53-H57 HydrophobicContact CD1-CB 3.8Å; L53-H57 VanDerWaalsContact CD1-CG 3.44Å; L53-H57 WeakPolarHBondContact CD1-ND1 3.17Å; L53-H57 HydrophobicContact CG-CB 4.07Å; L53-F107 HydrophobicContact CD1-CD2 3.89Å; L53-F107 HydrophobicContact CD1-CE2 3.79Å; L53-I110 HydrophobicContact CD1-CD1 4.46Å |
| 54 | S | 95.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | trans | -76.3 | 153.1 | 175 | -71.4 | 0 | 0 | 0 | 0 | 110.3 | G39 R40 R56 S79 | G39-S54 WeakPolarHBondContact CA-O 3.37Å; R40-S54 PolarHBondContact N-O 3.01Å; S54-R56 VanDerWaalsContact C-N 3.27Å; S54-R56 VanDerWaalsContact CB-O 3.24Å; S54-R56 WeakPolarHBondContact CB-O 3.28Å; S54-R56 PolarHBondContact O-N 2.99Å; S54-S79 PolarHBondContact OG-OG 2.88Å | ||
| 55 | R | 95.2 | Very high | 93.9 | Very high | 176 Ų | 176 | 56.2 Ų | 56.2 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -54.7 | -46.3 | 177.1 | -70.7 | -173.8 | -67.1 | -177.5 | -0.5 | 111.3 | G39 R40 G41 | G39-R55 CarbonylContact C-O 3.54Å; G39-R55 WeakPolarHBondContact CA-O 3.25Å; R40-R55 HydrophobicContact CG-CG 4.46Å; R40-R55 PolarHBondContact N-O 3.27Å; G41-R55 PolarHBondContact N-O 2.8Å |
| 56 | R | 96.2 | Very high | 93.8 | Very high | 126 Ų | 126 | 62.8 Ų | 62.8 | 48% | 0.475 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -115.8 | 117.6 | 161.2 | -60.5 | -178.6 | -175.6 | -169 | -3.9 | 107.1 | D43 S54 L78 | D43-R56 IonicContact OD2-CZ 3.13Å; D43-R56 IonicContact OD2-NE 2.69Å; D43-R56 PolarHBondContact OD2-NE 2.91Å; D43-R56 IonicContact OD2-NH2 2.72Å; D43-R56 PolarHBondContact OD2-NH2 2.84Å; S54-R56 VanDerWaalsContact C-N 3.27Å; S54-R56 VanDerWaalsContact CB-O 3.24Å; S54-R56 WeakPolarHBondContact CB-O 3.28Å; S54-R56 PolarHBondContact O-N 2.99Å; R56-L78 HydrophobicContact CB-CB 4.07Å; R56-L78 HydrophobicContact CB-CD1 4.06Å; R56-L78 CarbonylContact O-C 3.54Å |
| 57 | H | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | trans | -103.2 | -47 | -175.8 | -164.6 | 86.2 | 0 | 0 | 0 | 111.6 | L38 L53 L78 S79 F107 S108 | L38-H57 HydrophobicContact CD2-CB 4.18Å; L38-H57 WeakPolarHBondContact O-CB 3.24Å; L38-H57 PolarHBondContact O-N 3.26Å; L53-H57 HydrophobicContact CD1-CB 3.8Å; L53-H57 VanDerWaalsContact CD1-CG 3.44Å; L53-H57 WeakPolarHBondContact CD1-ND1 3.17Å; L53-H57 HydrophobicContact CG-CB 4.07Å; H57-L78 PolarHBondContact O-N 2.92Å; H57-S79 PolarHBondContact O-N 3.34Å; H57-F107 AromaticContact CD2-CD2 3.33Å; H57-F107 WeakPolarHBondContact CD2-CD2 3.25Å; H57-F107 AromaticContact CD2-CE2 3.82Å; H57-F107 AromaticContact CD2-CG 3.9Å; H57-F107 WeakPolarHBondContact NE2-CB 3.49Å; H57-F107 AromaticContact NE2-CD2 3.25Å; H57-F107 VanDerWaalsContact NE2-CD2 3.25Å; H57-F107 WeakPolarHBondContact NE2-CD2 3.35Å; H57-F107 AromaticContact NE2-CG 3.61Å; H57-S108 PolarHBondContact CE1-OG 2.86Å; H57-S108 VanDerWaalsContact CE1-OG 3.28Å | ||
| 58 | L | 98.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 166.1 | 174.8 | 62.6 | 84.3 | 0 | 0 | 0 | 110.5 | L38 L60 L75 K76 V84 F107 | L38-L58 HydrophobicContact CB-CD1 3.75Å; L38-L58 HydrophobicContact CB-CG 4.04Å; L38-L58 HydrophobicContact CD1-CD1 4.03Å; L38-L58 HydrophobicContact CD1-CD2 4.44Å; L38-L58 HydrophobicContact CD1-CG 4.3Å; L38-L58 HydrophobicContact CD2-CG 4.29Å; L38-L58 HydrophobicContact CG-CD1 4.4Å; L38-L58 HydrophobicContact CG-CG 4.45Å; L38-L58 PolarHBondContact N-O 3.26Å; L38-L58 PolarHBondContact O-N 2.92Å; L58-L60 HydrophobicContact CD1-CD2 4.39Å; L58-L75 HydrophobicContact CD1-CD1 4.3Å; L58-L75 HydrophobicContact CD2-CD1 4.21Å; L58-K76 CarbonylContact C-O 3.58Å; L58-K76 WeakPolarHBondContact CA-O 3.35Å; L58-K76 WeakPolarHBondContact CB-O 3.19Å; L58-V84 HydrophobicContact CD2-CG1 4.29Å; L58-V84 HydrophobicContact CD2-CG2 4.29Å; L58-F107 HydrophobicContact CD2-CD1 4.01Å; L58-F107 HydrophobicContact CD2-CE1 3.7Å; L58-F107 HydrophobicContact CD2-CE2 4.36Å; L58-F107 HydrophobicContact CD2-CG 4.48Å; L58-F107 HydrophobicContact CD2-CZ 3.89Å |
| 59 | S | 98.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.1 | 169.7 | 43.4 | 0 | 0 | 0 | 0 | 110.9 | L36 E61 L75 K76 | L36-S59 VanDerWaalsContact O-CA 3.3Å; L36-S59 WeakPolarHBondContact O-CA 3.38Å; S59-E61 PolarHBondContact OG-OE1 2.98Å; S59-L75 WeakPolarHBondContact O-CA 3.41Å; S59-K76 PolarHBondContact N-O 2.88Å; S59-K76 PolarHBondContact O-N 3.31Å |
| 60 | L | 98.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.4 | 159.8 | -53.5 | -177.3 | 0 | 0 | 0 | 107.3 | L8 L36 L58 C74 L75 L99 | L8-L60 HydrophobicContact CD1-CD1 3.84Å; L36-L60 HydrophobicContact CB-CB 4.27Å; L36-L60 HydrophobicContact CD2-CD1 4.2Å; L36-L60 PolarHBondContact N-O 2.97Å; L36-L60 PolarHBondContact O-N 3.09Å; L58-L60 HydrophobicContact CD1-CD2 4.39Å; L60-C74 CarbonylContact C-O 3.49Å; L60-C74 WeakPolarHBondContact CA-O 3.43Å; L60-L75 HydrophobicContact CD2-CB 4.3Å; L60-L75 HydrophobicContact CD2-CD1 4.17Å; L60-L75 HydrophobicContact CD2-CG 4.42Å; L60-L99 HydrophobicContact CD2-CD1 4.03Å |
| 61 | E | 98.3 | Very high | 94.9 | Very high | 40 Ų | 40 | 67.1 Ų | 67.1 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.7 | -173 | -37.3 | -164.7 | 153.7 | 0 | 0 | 109 | P35 S59 F73 C74 K76 | P35-E61 HydrophobicContact CB-CG 4.18Å; P35-E61 HydrophobicContact CG-CG 4.49Å; S59-E61 PolarHBondContact OG-OE1 2.98Å; E61-F73 WeakPolarHBondContact O-CA 3.44Å; E61-C74 PolarHBondContact N-O 3.06Å; E61-C74 PolarHBondContact O-N 2.84Å; E61-K76 HydrophobicContact CG-CB 4.35Å; E61-K76 WeakPolarHBondContact OE1-CD 3.43Å |
| 62 | P | 98.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146 | 174 | 29.7 | -33.9 | 0 | 0 | 0 | 110.3 | T33 L71 A72 F73 F125 | T33-P62 VanDerWaalsContact O-CG 3.22Å; T33-P62 WeakPolarHBondContact O-CG 3.39Å; P62-L71 HydrophobicContact CB-CD2 4.47Å; P62-A72 CarbonylContact C-O 3.57Å; P62-A72 VanDerWaalsContact CA-O 3.27Å; P62-A72 WeakPolarHBondContact CA-O 3.4Å; P62-F73 HydrophobicContact CB-CD1 4.02Å; P62-F73 HydrophobicContact CB-CE1 3.65Å; P62-F73 HydrophobicContact CB-CZ 4.09Å; P62-F73 HydrophobicContact CG-CE1 4.41Å; P62-F125 HydrophobicContact CB-CE1 4.44Å; P62-F125 HydrophobicContact CG-CE1 3.98Å |
| 63 | Y | 97.5 | Very high | 96.2 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 28% | 0.275 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 163.8 | 173.5 | 67.6 | -83.4 | 0 | 0 | 0 | 110.6 | E65 A72 C74 T98 | Y63-E65 HydrophobicContact CD2-CG 4.17Å; Y63-E65 HydrophobicContact CE2-CG 3.49Å; Y63-E65 VanDerWaalsContact CE2-CG 3.49Å; Y63-E65 PolarHBondContact OH-OE1 2.93Å; Y63-A72 HydrophobicContact CD1-CB 4.16Å; Y63-A72 HydrophobicContact CD2-CB 4.12Å; Y63-A72 HydrophobicContact CE1-CB 3.69Å; Y63-A72 HydrophobicContact CE2-CB 3.66Å; Y63-A72 HydrophobicContact CG-CB 4.35Å; Y63-A72 PolarHBondContact N-O 2.78Å; Y63-A72 PolarHBondContact O-N 2.91Å; Y63-C74 HydrophobicContact CD1-CB 4.43Å; Y63-C74 HydrophobicContact CE1-CB 4.08Å; Y63-T98 VanDerWaalsContact OH-CG2 3.27Å; Y63-T98 WeakPolarHBondContact OH-CG2 3.29Å |
| 64 | L | 96.7 | Very high | 96.4 | Very high | 95 Ų | 95 | 56 Ų | 56 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.5 | 175.9 | -173.3 | 64.1 | 0 | 0 | 0 | 109.4 | S68 M70 L122 | L64-S68 WeakPolarHBondContact CD1-O 3.38Å; L64-M70 WeakPolarHBondContact CD1-O 3.18Å; L64-L122 HydrophobicContact CD1-CD1 4.29Å; L64-L122 HydrophobicContact CD1-CD2 3.86Å; L64-L122 HydrophobicContact CD2-CD1 4.25Å |
| 65 | E | 94.4 | Very high | 96.6 | Very high | 104 Ų | 104 | 55.3 Ų | 55.3 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | trans | -68.9 | 145.7 | 170.4 | -74 | -174.3 | 173.7 | 0 | 0 | 110.9 | Y63 G67 S68 A72 | Y63-E65 HydrophobicContact CD2-CG 4.17Å; Y63-E65 HydrophobicContact CE2-CG 3.49Å; Y63-E65 VanDerWaalsContact CE2-CG 3.49Å; Y63-E65 PolarHBondContact OH-OE1 2.93Å; E65-G67 PolarHBondContact O-N 3.02Å; E65-G67 VanDerWaalsContact O-N 3.09Å; E65-S68 WeakPolarHBondContact O-CB 3.36Å; E65-S68 PolarHBondContact O-N 3.17Å; E65-A72 HydrophobicContact CG-CB 4.22Å | ||
| 66 | K | 93.8 | Very high | 96.8 | Very high | 218 Ų | 218 | 49.4 Ų | 49.4 | 95% | 0.948 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 118 | 178.9 | -176 | -178.6 | 179.7 | -177.8 | 0 | 109.9 | S68 | K66-S68 VanDerWaalsContact C-N 3.32Š|
| 67 | G | 92.8 | Very high | 96.9 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 88% | 0.876 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E65 | E65-G67 PolarHBondContact O-N 3.02Å; E65-G67 VanDerWaalsContact O-N 3.09Å |
| 68 | S | 92.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | trans | -81 | 150.4 | 171.5 | -178 | 0 | 0 | 0 | 0 | 111.2 | L64 E65 K66 M70 | L64-S68 WeakPolarHBondContact CD1-O 3.38Å; E65-S68 WeakPolarHBondContact O-CB 3.36Å; E65-S68 PolarHBondContact O-N 3.17Å; K66-S68 VanDerWaalsContact C-N 3.32Å; S68-M70 PolarHBondContact OG-N 3.09Å; S68-M70 VanDerWaalsContact OG-N 3.08Å; S68-M70 PolarHBondContact OG-O 2.79Å; S68-M70 VanDerWaalsContact OG-O 3.08Å | ||
| 69 | A | 93.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -105.9 | 10.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 70 | M | 96.2 | Very high | 96.7 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 30% | 0.3 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -134.2 | 152 | -172.3 | -61 | 171.6 | 175.5 | 0 | 0 | 110.5 | L64 S68 E118 G119 T120 | L64-M70 WeakPolarHBondContact CD1-O 3.18Å; S68-M70 PolarHBondContact OG-N 3.09Å; S68-M70 VanDerWaalsContact OG-N 3.08Å; S68-M70 PolarHBondContact OG-O 2.79Å; S68-M70 VanDerWaalsContact OG-O 3.08Å; M70-E118 HydrophobicContact CE-CB 4.37Å; M70-E118 HydrophobicContact SD-CB 3.74Å; M70-E118 HydrophobicContact SD-CG 4Å; M70-E118 VanDerWaalsContact SD-OE2 3.36Å; M70-G119 WeakPolarHBondContact CG-O 3.24Å; M70-T120 HydrophobicContact CE-CG2 4.44Å |
| 71 | L | 97.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.6 | 174.5 | -67.3 | 175 | 0 | 0 | 0 | 110.4 | T33 P62 F73 L122 F125 | T33-L71 HydrophobicContact CG2-CD1 4.07Å; T33-L71 HydrophobicContact CG2-CD2 4.15Å; P62-L71 HydrophobicContact CB-CD2 4.47Å; L71-F73 HydrophobicContact CB-CE2 3.94Å; L71-F73 HydrophobicContact CB-CZ 4.26Å; L71-L122 HydrophobicContact CD2-CD2 4.14Å; L71-L122 HydrophobicContact CG-CD2 4.16Å; L71-F125 HydrophobicContact CD1-CB 4.48Å |
| 72 | A | 97.8 | Very high | 95.6 | Very high | 21 Ų | 21 | 63 Ų | 63 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 165.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P62 Y63 E65 | P62-A72 CarbonylContact C-O 3.57Å; P62-A72 VanDerWaalsContact CA-O 3.27Å; P62-A72 WeakPolarHBondContact CA-O 3.4Å; Y63-A72 HydrophobicContact CD1-CB 4.16Å; Y63-A72 HydrophobicContact CD2-CB 4.12Å; Y63-A72 HydrophobicContact CE1-CB 3.69Å; Y63-A72 HydrophobicContact CE2-CB 3.66Å; Y63-A72 HydrophobicContact CG-CB 4.35Å; Y63-A72 PolarHBondContact N-O 2.78Å; Y63-A72 PolarHBondContact O-N 2.91Å; E65-A72 HydrophobicContact CG-CB 4.22Å |
| 73 | F | 98.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.013 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.5 | -177.8 | -68.5 | -97.8 | 0 | 0 | 0 | 111 | T6 L8 E61 P62 L71 L99 V116 F125 | T6-F73 HydrophobicContact CG2-CE2 3.59Å; T6-F73 HydrophobicContact CG2-CZ 4.17Å; L8-F73 HydrophobicContact CD1-CD1 4.09Å; L8-F73 HydrophobicContact CD1-CE1 3.84Å; L8-F73 HydrophobicContact CD1-CZ 4.31Å; L8-F73 HydrophobicContact CD2-CD1 4.49Å; L8-F73 HydrophobicContact CD2-CD2 4.16Å; L8-F73 HydrophobicContact CD2-CE1 4.39Å; L8-F73 HydrophobicContact CD2-CE2 4.1Å; L8-F73 HydrophobicContact CD2-CG 4.38Å; L8-F73 HydrophobicContact CD2-CZ 4.21Å; L8-F73 HydrophobicContact CG-CE1 4.41Å; L8-F73 HydrophobicContact CG-CZ 4.39Å; E61-F73 WeakPolarHBondContact O-CA 3.44Å; P62-F73 HydrophobicContact CB-CD1 4.02Å; P62-F73 HydrophobicContact CB-CE1 3.65Å; P62-F73 HydrophobicContact CB-CZ 4.09Å; P62-F73 HydrophobicContact CG-CE1 4.41Å; L71-F73 HydrophobicContact CB-CE2 3.94Å; L71-F73 HydrophobicContact CB-CZ 4.26Å; F73-L99 HydrophobicContact CB-CB 4.26Å; F73-L99 HydrophobicContact CB-CD1 3.97Å; F73-L99 HydrophobicContact CB-CG 4.31Å; F73-L99 WeakPolarHBondContact O-CB 3.49Å; F73-L99 PolarHBondContact O-N 2.77Å; F73-V116 HydrophobicContact CD2-CG1 4.32Å; F73-F125 AromaticContact CE1-CD1 3.97Å; F73-F125 HydrophobicContact CE1-CD1 3.97Å; F73-F125 HydrophobicContact CE1-CD2 4.08Å; F73-F125 AromaticContact CE1-CE1 3.96Å; F73-F125 HydrophobicContact CE1-CE1 3.96Å; F73-F125 HydrophobicContact CE1-CE2 4.1Å; F73-F125 HydrophobicContact CE1-CG 4Å; F73-F125 HydrophobicContact CE1-CZ 4.02Å; F73-F125 HydrophobicContact CZ-CB 4.01Å; F73-F125 HydrophobicContact CZ-CD1 4.03Å; F73-F125 HydrophobicContact CZ-CD2 4.16Å; F73-F125 HydrophobicContact CZ-CE1 4.49Å; F73-F125 AromaticContact CZ-CG 3.83Å; F73-F125 HydrophobicContact CZ-CG 3.83Å |
| 74 | C | 98.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 151.6 | 164.4 | 70.7 | 0 | 0 | 0 | 0 | 109.6 | L60 E61 Y63 V97 | L60-C74 CarbonylContact C-O 3.49Å; L60-C74 WeakPolarHBondContact CA-O 3.43Å; E61-C74 PolarHBondContact N-O 3.06Å; E61-C74 PolarHBondContact O-N 2.84Å; Y63-C74 HydrophobicContact CD1-CB 4.43Å; Y63-C74 HydrophobicContact CE1-CB 4.08Å; C74-V97 CarbonylContact C-O 3.39Å; C74-V97 WeakPolarHBondContact CA-O 3.47Å; C74-V97 VanDerWaalsContact CB-O 3.32Å; C74-V97 WeakPolarHBondContact CB-O 3.3Å |
| 75 | L | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135 | 166.6 | 177.8 | 151.9 | 0 | 0 | 0 | 108.6 | L58 S59 L60 V77 V84 V86 L91 Q96 V97 L99 L105 | L58-L75 HydrophobicContact CD1-CD1 4.3Å; L58-L75 HydrophobicContact CD2-CD1 4.21Å; S59-L75 WeakPolarHBondContact O-CA 3.41Å; L60-L75 HydrophobicContact CD2-CB 4.3Å; L60-L75 HydrophobicContact CD2-CD1 4.17Å; L60-L75 HydrophobicContact CD2-CG 4.42Å; L75-V77 HydrophobicContact CD2-CG2 4.06Å; L75-V84 HydrophobicContact CD2-CG1 4.29Å; L75-V86 HydrophobicContact CD1-CG2 4.19Å; L75-V86 HydrophobicContact CD2-CG2 4.12Å; L75-L91 HydrophobicContact CD2-CD1 3.78Å; L75-Q96 CarbonylContact O-C 3.57Å; L75-Q96 WeakPolarHBondContact O-CA 3.25Å; L75-Q96 WeakPolarHBondContact O-CB 3.33Å; L75-V97 HydrophobicContact CB-CG1 4.43Å; L75-V97 PolarHBondContact N-O 2.94Å; L75-V97 PolarHBondContact O-N 2.91Å; L75-L99 HydrophobicContact CB-CD2 3.88Å; L75-L99 HydrophobicContact CB-CG 4.45Å; L75-L105 HydrophobicContact CD1-CD2 3.16Å; L75-L105 HydrophobicContact CD1-CG 4.18Å |
| 76 | K | 98.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 23% | 0.226 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.5 | 174 | -176.9 | -178 | -165.7 | 162.6 | 0 | 111.3 | L58 S59 E61 L78 Q96 | L58-K76 CarbonylContact C-O 3.58Å; L58-K76 WeakPolarHBondContact CA-O 3.35Å; L58-K76 WeakPolarHBondContact CB-O 3.19Å; S59-K76 PolarHBondContact N-O 2.88Å; S59-K76 PolarHBondContact O-N 3.31Å; E61-K76 HydrophobicContact CG-CB 4.35Å; E61-K76 WeakPolarHBondContact OE1-CD 3.43Å; K76-L78 HydrophobicContact CD-CD2 4.21Å; K76-L78 HydrophobicContact CG-CD2 4.25Å; K76-Q96 HydrophobicContact CB-CB 4.11Å; K76-Q96 HydrophobicContact CG-CB 4.3Å |
| 77 | V | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | L75 V84 L91 R92 L94 E95 | L75-V77 HydrophobicContact CD2-CG2 4.06Å; V77-V84 HydrophobicContact CB-CG2 4.45Å; V77-V84 HydrophobicContact CG1-CG2 4.08Å; V77-V84 HydrophobicContact CG2-CB 3.7Å; V77-V84 HydrophobicContact CG2-CG2 3.65Å; V77-L91 HydrophobicContact CG2-CB 3.46Å; V77-L91 VanDerWaalsContact CG2-CB 3.46Å; V77-L91 HydrophobicContact CG2-CD1 4.25Å; V77-R92 VanDerWaalsContact CB-O 3.28Å; V77-R92 WeakPolarHBondContact CB-O 3.38Å; V77-L94 WeakPolarHBondContact O-CA 3.14Å; V77-L94 PolarHBondContact O-N 2.8Å; V77-E95 PolarHBondContact N-O 2.82Å |
| 78 | L | 98.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.199 | 27% | 0.271 | C | S | . | . | trans | -108.5 | -11.5 | 179.2 | -56.9 | 179.6 | 0 | 0 | 0 | 112.3 | L37 R56 H57 K76 Y93 | L37-L78 HydrophobicContact CD2-CD1 3.75Å; R56-L78 HydrophobicContact CB-CB 4.07Å; R56-L78 HydrophobicContact CB-CD1 4.06Å; R56-L78 CarbonylContact O-C 3.54Å; H57-L78 PolarHBondContact O-N 2.92Å; K76-L78 HydrophobicContact CD-CD2 4.21Å; K76-L78 HydrophobicContact CG-CD2 4.25Å; L78-Y93 WeakPolarHBondContact O-CE2 3.37Å | ||
| 79 | S | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | trans | -74.2 | 132.2 | 176.5 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | S54 H57 K81 | S54-S79 PolarHBondContact OG-OG 2.88Å; H57-S79 PolarHBondContact O-N 3.34Å; S79-K81 PolarHBondContact OG-N 3.46Å | ||
| 80 | R | 95.2 | Very high | 95.9 | Very high | 194 Ų | 194 | 51.4 Ų | 51.4 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -90 | -14.3 | 168.6 | -66.4 | -175.1 | 179.2 | -156.7 | -1.5 | 113.7 | Y93 | R80-Y93 HydrophobicContact CG-CD1 4.09Å; R80-Y93 HydrophobicContact CG-CD2 3.56Å; R80-Y93 HydrophobicContact CG-CE1 4.14Å; R80-Y93 HydrophobicContact CG-CE2 3.64Å; R80-Y93 HydrophobicContact CG-CG 3.8Å; R80-Y93 VanDerWaalsContact NE-CZ 3.3Å; R80-Y93 PolarHBondContact NE-OH 2.88Å; R80-Y93 PolarHBondContact NH2-OH 3.36Å |
| 81 | K | 89.5 | Confident | 96 | Very high | 189 Ų | 189 | 49.1 Ų | 49.1 | 82% | 0.822 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -96.8 | -8.1 | -168.7 | -65.5 | -170.6 | 177.5 | -168.7 | 0 | 114.3 | S79 | S79-K81 PolarHBondContact OG-N 3.46Š|
| 82 | G | 85.9 | Confident | 96 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 38% | 0.381 | 29% | 0.287 | S | S | . | . | trans | -163.4 | 173.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 83 | C | 93.8 | Very high | 96 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 28% | 0.284 | 30% | 0.296 | S | S | . | . | trans | -102.8 | 161.2 | 174.4 | 56.1 | 0 | 0 | 0 | 0 | 111 | W85 T90 L91 | C83-W85 PolarHBondContact SG-NE1 3.28Å; C83-T90 HydrophobicContact CB-CG2 3.6Å; C83-L91 CarbonylContact C-O 3.5Å; C83-L91 WeakPolarHBondContact CA-O 3.48Å; C83-L91 VanDerWaalsContact CB-O 3.24Å; C83-L91 WeakPolarHBondContact CB-O 3.28Å | ||
| 84 | V | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.2 | 169.1 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | L58 L75 V77 V86 L91 F107 | L58-V84 HydrophobicContact CD2-CG1 4.29Å; L58-V84 HydrophobicContact CD2-CG2 4.29Å; L75-V84 HydrophobicContact CD2-CG1 4.29Å; V77-V84 HydrophobicContact CB-CG2 4.45Å; V77-V84 HydrophobicContact CG1-CG2 4.08Å; V77-V84 HydrophobicContact CG2-CB 3.7Å; V77-V84 HydrophobicContact CG2-CG2 3.65Å; V84-V86 HydrophobicContact CG1-CG2 3.85Å; V84-L91 PolarHBondContact N-O 2.83Å; V84-L91 PolarHBondContact O-N 3.12Å; V84-F107 HydrophobicContact CB-CB 4.43Å; V84-F107 HydrophobicContact CG1-CB 4.36Å; V84-F107 HydrophobicContact CG1-CD1 4.17Å; V84-F107 HydrophobicContact CG2-CB 4.02Å; V84-F107 HydrophobicContact CG2-CG 4.46Å |
| 85 | W | 97.8 | Very high | 96 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.5 | 174.2 | -63.8 | 64.8 | 0 | 0 | 0 | 107.9 | C83 L89 L105 S106 | C83-W85 PolarHBondContact SG-NE1 3.28Å; W85-L89 CarbonylContact C-O 3.49Å; W85-L89 VanDerWaalsContact CA-O 3.28Å; W85-L89 WeakPolarHBondContact CA-O 3.21Å; W85-L105 CarbonylContact O-C 3.51Å; W85-L105 WeakPolarHBondContact O-CA 3.47Å; W85-S106 PolarHBondContact N-O 3.06Å; W85-S106 PolarHBondContact O-N 2.74Å |
| 86 | V | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 115.1 | 179.1 | -172 | 0 | 0 | 0 | 0 | 108.8 | L75 V84 G88 L89 L91 V97 R104 L105 | L75-V86 HydrophobicContact CD1-CG2 4.19Å; L75-V86 HydrophobicContact CD2-CG2 4.12Å; V84-V86 HydrophobicContact CG1-CG2 3.85Å; V86-G88 PolarHBondContact O-N 3.28Å; V86-L89 PolarHBondContact N-O 2.9Å; V86-L89 WeakPolarHBondContact O-CB 3.35Å; V86-L89 PolarHBondContact O-N 2.95Å; V86-L91 HydrophobicContact CB-CD1 4.49Å; V86-L91 HydrophobicContact CG2-CD1 3.82Å; V86-V97 HydrophobicContact CB-CG1 4.11Å; V86-V97 HydrophobicContact CG1-CG1 3.87Å; V86-V97 HydrophobicContact CG2-CG1 4.28Å; V86-R104 CarbonylContact C-O 3.58Å; V86-R104 WeakPolarHBondContact CA-O 3.33Å; V86-L105 HydrophobicContact CG1-CG 4.46Å; V86-L105 HydrophobicContact CG2-CG 4.27Å |
| 87 | N | 95 | Very high | 96 | Very high | 78 Ų | 78 | 71.4 Ų | 71.4 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 35 | 178.4 | -63.8 | -21.1 | 0 | 0 | 0 | 114.1 | N103 R104 | N87-N103 PolarHBondContact ND2-OD1 3.36Å; N87-N103 WeakPolarHBondContact OD1-CA 3.49Å; N87-R104 PolarHBondContact N-O 2.85Å; N87-R104 PolarHBondContact OD1-N 3.36Å |
| 88 | G | 90.8 | Very high | 96 | Very high | 68 Ų | 68 | 75.7 Ų | 75.7 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -11.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V86 | V86-G88 PolarHBondContact O-N 3.28Š|
| 89 | L | 95.5 | Very high | 96 | Very high | 101 Ų | 101 | 74.9 Ų | 74.9 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 138.7 | 172.9 | -59.3 | 175.8 | 0 | 0 | 0 | 110.5 | W85 V86 V97 | W85-L89 CarbonylContact C-O 3.49Å; W85-L89 VanDerWaalsContact CA-O 3.28Å; W85-L89 WeakPolarHBondContact CA-O 3.21Å; V86-L89 PolarHBondContact N-O 2.9Å; V86-L89 WeakPolarHBondContact O-CB 3.35Å; V86-L89 PolarHBondContact O-N 2.95Å; L89-V97 HydrophobicContact CD1-CG2 4.11Å |
| 90 | T | 97.6 | Very high | 96 | Very high | 54 Ų | 54 | 77.7 Ų | 77.7 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.3 | 173.7 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | C83 | C83-T90 HydrophobicContact CB-CG2 3.6Å |
| 91 | L | 98.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.4 | 177.5 | -59 | 176.1 | 0 | 0 | 0 | 111.5 | L75 V77 C83 V84 V86 E95 V97 | L75-L91 HydrophobicContact CD2-CD1 3.78Å; V77-L91 HydrophobicContact CG2-CB 3.46Å; V77-L91 VanDerWaalsContact CG2-CB 3.46Å; V77-L91 HydrophobicContact CG2-CD1 4.25Å; C83-L91 CarbonylContact C-O 3.5Å; C83-L91 WeakPolarHBondContact CA-O 3.48Å; C83-L91 VanDerWaalsContact CB-O 3.24Å; C83-L91 WeakPolarHBondContact CB-O 3.28Å; V84-L91 PolarHBondContact N-O 2.83Å; V84-L91 PolarHBondContact O-N 3.12Å; V86-L91 HydrophobicContact CB-CD1 4.49Å; V86-L91 HydrophobicContact CG2-CD1 3.82Å; L91-E95 VanDerWaalsContact CA-OE2 3.25Å; L91-E95 WeakPolarHBondContact CA-OE2 3.45Å; L91-E95 HydrophobicContact CB-CB 4.21Å; L91-E95 HydrophobicContact CD2-CB 4.02Å; L91-V97 HydrophobicContact CD1-CB 3.97Å; L91-V97 HydrophobicContact CD1-CG1 3.64Å; L91-V97 HydrophobicContact CD2-CB 4.4Å |
| 92 | R | 97.7 | Very high | 96.5 | Very high | 165 Ų | 165 | 66.5 Ų | 66.5 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | trans | -110 | -179.2 | 177.1 | -61.4 | 179.3 | -179.9 | -91.6 | -0.9 | 110.7 | V77 L94 E95 | V77-R92 VanDerWaalsContact CB-O 3.28Å; V77-R92 WeakPolarHBondContact CB-O 3.38Å; R92-L94 PolarHBondContact O-N 3.32Å; R92-E95 HydrophobicContact CB-CG 4.45Å; R92-E95 PolarHBondContact N-OE2 3Å; R92-E95 VanDerWaalsContact O-CB 3.3Å; R92-E95 WeakPolarHBondContact O-CB 3.38Å; R92-E95 PolarHBondContact O-N 2.91Å | ||
| 93 | Y | 98.2 | Very high | 97 | Very high | 92 Ų | 92 | 64.8 Ų | 64.8 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 125.6 | -175.5 | -178.7 | -119.7 | 0 | 0 | 0 | 113 | L78 R80 E95 | L78-Y93 WeakPolarHBondContact O-CE2 3.37Å; R80-Y93 HydrophobicContact CG-CD1 4.09Å; R80-Y93 HydrophobicContact CG-CD2 3.56Å; R80-Y93 HydrophobicContact CG-CE1 4.14Å; R80-Y93 HydrophobicContact CG-CE2 3.64Å; R80-Y93 HydrophobicContact CG-CG 3.8Å; R80-Y93 VanDerWaalsContact NE-CZ 3.3Å; R80-Y93 PolarHBondContact NE-OH 2.88Å; R80-Y93 PolarHBondContact NH2-OH 3.36Å; Y93-E95 PolarHBondContact O-N 3.49Å |
| 94 | L | 98.2 | Very high | 97.2 | Very high | 89 Ų | 89 | 68.2 Ų | 68.2 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -1.1 | -177.1 | -55.3 | 176.5 | 0 | 0 | 0 | 116.3 | V77 R92 | V77-L94 WeakPolarHBondContact O-CA 3.14Å; V77-L94 PolarHBondContact O-N 2.8Å; R92-L94 PolarHBondContact O-N 3.32Å |
| 95 | E | 98.5 | Very high | 97.2 | Very high | 84 Ų | 84 | 68.2 Ų | 68.2 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | trans | -69.8 | 147.6 | 168.9 | -62.4 | 178.4 | 175.1 | 0 | 0 | 110 | V77 L91 R92 Y93 | V77-E95 PolarHBondContact N-O 2.82Å; L91-E95 VanDerWaalsContact CA-OE2 3.25Å; L91-E95 WeakPolarHBondContact CA-OE2 3.45Å; L91-E95 HydrophobicContact CB-CB 4.21Å; L91-E95 HydrophobicContact CD2-CB 4.02Å; R92-E95 HydrophobicContact CB-CG 4.45Å; R92-E95 PolarHBondContact N-OE2 3Å; R92-E95 VanDerWaalsContact O-CB 3.3Å; R92-E95 WeakPolarHBondContact O-CB 3.38Å; R92-E95 PolarHBondContact O-N 2.91Å; Y93-E95 PolarHBondContact O-N 3.49Å | ||
| 96 | Q | 98.3 | Very high | 97.2 | Very high | 114 Ų | 114 | 64.6 Ų | 64.6 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153 | -177.8 | 67.4 | -178.4 | 45.3 | 0 | 0 | 111.4 | L75 K76 | L75-Q96 CarbonylContact O-C 3.57Å; L75-Q96 WeakPolarHBondContact O-CA 3.25Å; L75-Q96 WeakPolarHBondContact O-CB 3.33Å; K76-Q96 HydrophobicContact CB-CB 4.11Å; K76-Q96 HydrophobicContact CG-CB 4.3Å |
| 97 | V | 98.4 | Very high | 97.1 | Very high | 27 Ų | 27 | 64.8 Ų | 64.8 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.2 | 174.3 | 73.5 | 0 | 0 | 0 | 0 | 110 | C74 L75 V86 L89 L91 | C74-V97 CarbonylContact C-O 3.39Å; C74-V97 WeakPolarHBondContact CA-O 3.47Å; C74-V97 VanDerWaalsContact CB-O 3.32Å; C74-V97 WeakPolarHBondContact CB-O 3.3Å; L75-V97 HydrophobicContact CB-CG1 4.43Å; L75-V97 PolarHBondContact N-O 2.94Å; L75-V97 PolarHBondContact O-N 2.91Å; V86-V97 HydrophobicContact CB-CG1 4.11Å; V86-V97 HydrophobicContact CG1-CG1 3.87Å; V86-V97 HydrophobicContact CG2-CG1 4.28Å; L89-V97 HydrophobicContact CD1-CG2 4.11Å; L91-V97 HydrophobicContact CD1-CB 3.97Å; L91-V97 HydrophobicContact CD1-CG1 3.64Å; L91-V97 HydrophobicContact CD2-CB 4.4Å |
| 98 | T | 98.1 | Very high | 97 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 55% | 0.546 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 142.1 | 171.1 | 54.7 | 0 | 0 | 0 | 0 | 110 | Y63 | Y63-T98 VanDerWaalsContact OH-CG2 3.27Å; Y63-T98 WeakPolarHBondContact OH-CG2 3.29Å |
| 99 | L | 98 | Very high | 97 | Very high | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | trans | -89.8 | 137 | 175.5 | -63.2 | -169.5 | 0 | 0 | 0 | 109.9 | L60 F73 L75 N103 V114 | L60-L99 HydrophobicContact CD2-CD1 4.03Å; F73-L99 HydrophobicContact CB-CB 4.26Å; F73-L99 HydrophobicContact CB-CD1 3.97Å; F73-L99 HydrophobicContact CB-CG 4.31Å; F73-L99 WeakPolarHBondContact O-CB 3.49Å; F73-L99 PolarHBondContact O-N 2.77Å; L75-L99 HydrophobicContact CB-CD2 3.88Å; L75-L99 HydrophobicContact CB-CG 4.45Å; L99-N103 WeakPolarHBondContact CA-OD1 3.21Å; L99-N103 HydrophobicContact CD2-CB 4.11Å; L99-V114 HydrophobicContact CD1-CG1 4.47Å | ||
| 100 | S | 96.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | trans | -90.3 | -170.9 | 169.5 | 70.7 | 0 | 0 | 0 | 0 | 110.7 | V102 N103 V116 | S100-V102 PolarHBondContact O-N 2.83Å; S100-V102 PolarHBondContact OG-N 2.99Å; S100-V102 PolarHBondContact OG-O 2.79Å; S100-V102 VanDerWaalsContact OG-O 3.06Å; S100-N103 PolarHBondContact N-OD1 3.34Å; S100-N103 PolarHBondContact O-ND2 3.15Å; S100-N103 PolarHBondContact OG-OD1 2.79Å; S100-V116 WeakPolarHBondContact O-CG2 3.43Å | ||
| 101 | T | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 56.3 Ų | 56.3 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -58.6 | -33.3 | 174.6 | -46.8 | 0 | 0 | 0 | 0 | 112.9 | R115 V116 | T101-R115 CarbonylContact O-C 3.57Å; T101-R115 WeakPolarHBondContact O-CA 3.29Å; T101-V116 PolarHBondContact O-N 3.13Å |
| 102 | V | 97.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 120.3 | -178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | S100 L113 R115 | S100-V102 PolarHBondContact O-N 2.83Å; S100-V102 PolarHBondContact OG-N 2.99Å; S100-V102 PolarHBondContact OG-O 2.79Å; S100-V102 VanDerWaalsContact OG-O 3.06Å; V102-L113 HydrophobicContact CG1-CD1 3.76Å; V102-R115 HydrophobicContact CG2-CG 4.31Å |
| 103 | N | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.8 | -174.8 | -51.7 | -85.2 | 0 | 0 | 0 | 110.2 | N87 L99 S100 L105 L113 V114 | N87-N103 PolarHBondContact ND2-OD1 3.36Å; N87-N103 WeakPolarHBondContact OD1-CA 3.49Å; L99-N103 WeakPolarHBondContact CA-OD1 3.21Å; L99-N103 HydrophobicContact CD2-CB 4.11Å; S100-N103 PolarHBondContact N-OD1 3.34Å; S100-N103 PolarHBondContact O-ND2 3.15Å; S100-N103 PolarHBondContact OG-OD1 2.79Å; N103-L105 HydrophobicContact CB-CD1 3.87Å; N103-L105 VanDerWaalsContact O-CD1 3.29Å; N103-L105 WeakPolarHBondContact O-CD1 3.06Å; N103-L113 CarbonylContact O-C 3.54Å; N103-L113 WeakPolarHBondContact O-CA 3.48Å; N103-V114 HydrophobicContact CB-CB 4.37Å; N103-V114 PolarHBondContact N-O 3.14Å; N103-V114 PolarHBondContact ND2-O 3.07Å; N103-V114 PolarHBondContact O-N 2.92Å |
| 104 | R | 97.8 | Very high | 96.8 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.5 | 178.3 | -65.4 | 175.7 | -178.1 | -79.1 | 3.5 | 109 | V86 N87 L113 L136 I137 | V86-R104 CarbonylContact C-O 3.58Å; V86-R104 WeakPolarHBondContact CA-O 3.33Å; N87-R104 PolarHBondContact N-O 2.85Å; N87-R104 PolarHBondContact OD1-N 3.36Å; R104-L113 HydrophobicContact CG-CD1 3.68Å; R104-L136 PolarHBondContact NH1-O 2.88Å; R104-I137 HydrophobicContact CB-CD1 3.97Å; R104-I137 HydrophobicContact CB-CG1 4.12Å; R104-I137 HydrophobicContact CG-CG1 4.47Å |
| 105 | L | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143 | -175.5 | -62.4 | 75.7 | 0 | 0 | 0 | 111.3 | L75 W85 V86 N103 Q111 M112 V114 I137 | L75-L105 HydrophobicContact CD1-CD2 3.16Å; L75-L105 HydrophobicContact CD1-CG 4.18Å; W85-L105 CarbonylContact O-C 3.51Å; W85-L105 WeakPolarHBondContact O-CA 3.47Å; V86-L105 HydrophobicContact CG1-CG 4.46Å; V86-L105 HydrophobicContact CG2-CG 4.27Å; N103-L105 HydrophobicContact CB-CD1 3.87Å; N103-L105 VanDerWaalsContact O-CD1 3.29Å; N103-L105 WeakPolarHBondContact O-CD1 3.06Å; L105-Q111 WeakPolarHBondContact O-CA 3.45Å; L105-M112 HydrophobicContact CB-CB 4.07Å; L105-M112 HydrophobicContact CD2-SD 3.96Å; L105-M112 PolarHBondContact N-O 2.76Å; L105-M112 PolarHBondContact O-N 2.93Å; L105-V114 HydrophobicContact CD1-CG2 4.07Å; L105-I137 WeakPolarHBondContact O-CD1 3.27Å |
| 106 | S | 96.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.7 | 166.6 | -170 | 0 | 0 | 0 | 0 | 112.1 | W85 I110 | W85-S106 PolarHBondContact N-O 3.06Å; W85-S106 PolarHBondContact O-N 2.74Å; S106-I110 VanDerWaalsContact CA-O 3.29Å; S106-I110 WeakPolarHBondContact CA-O 3.27Å; S106-I110 PolarHBondContact OG-O 2.87Å |
| 107 | F | 95.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 145.6 | 179.7 | 59.4 | -86.9 | 0 | 0 | 0 | 110.2 | L38 L53 H57 L58 V84 G109 I110 M112 | L38-F107 HydrophobicContact CD1-CZ 3.9Å; L38-F107 HydrophobicContact CD2-CE2 3.77Å; L38-F107 HydrophobicContact CD2-CZ 3.88Å; L53-F107 HydrophobicContact CD1-CD2 3.89Å; L53-F107 HydrophobicContact CD1-CE2 3.79Å; H57-F107 AromaticContact CD2-CD2 3.33Å; H57-F107 WeakPolarHBondContact CD2-CD2 3.25Å; H57-F107 AromaticContact CD2-CE2 3.82Å; H57-F107 AromaticContact CD2-CG 3.9Å; H57-F107 WeakPolarHBondContact NE2-CB 3.49Å; H57-F107 AromaticContact NE2-CD2 3.25Å; H57-F107 VanDerWaalsContact NE2-CD2 3.25Å; H57-F107 WeakPolarHBondContact NE2-CD2 3.35Å; H57-F107 AromaticContact NE2-CG 3.61Å; L58-F107 HydrophobicContact CD2-CD1 4.01Å; L58-F107 HydrophobicContact CD2-CE1 3.7Å; L58-F107 HydrophobicContact CD2-CE2 4.36Å; L58-F107 HydrophobicContact CD2-CG 4.48Å; L58-F107 HydrophobicContact CD2-CZ 3.89Å; V84-F107 HydrophobicContact CB-CB 4.43Å; V84-F107 HydrophobicContact CG1-CB 4.36Å; V84-F107 HydrophobicContact CG1-CD1 4.17Å; V84-F107 HydrophobicContact CG2-CB 4.02Å; V84-F107 HydrophobicContact CG2-CG 4.46Å; F107-G109 PolarHBondContact O-N 3.24Å; F107-I110 HydrophobicContact CD2-CD1 4.2Å; F107-I110 HydrophobicContact CE2-CB 4.33Å; F107-I110 HydrophobicContact CE2-CD1 3.56Å; F107-I110 HydrophobicContact CE2-CG1 4.5Å; F107-I110 HydrophobicContact CZ-CB 4.36Å; F107-I110 HydrophobicContact CZ-CD1 4.07Å; F107-I110 HydrophobicContact CZ-CG2 4.28Å; F107-I110 PolarHBondContact N-O 2.79Å; F107-I110 VanDerWaalsContact N-O 3.14Å; F107-I110 WeakPolarHBondContact O-CA 3.46Å; F107-I110 WeakPolarHBondContact O-CB 3.43Å; F107-I110 PolarHBondContact O-N 2.87Å; F107-M112 HydrophobicContact CE1-CB 4.24Å; F107-M112 HydrophobicContact CE1-SD 4.05Å; F107-M112 HydrophobicContact CZ-SD 4.34Å |
| 108 | S | 92.8 | Very high | 96.7 | Very high | 44 Ų | 44 | 47 Ų | 47 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 35.9 | 174.9 | -65.4 | 0 | 0 | 0 | 0 | 115 | H57 I110 | H57-S108 PolarHBondContact CE1-OG 2.86Å; H57-S108 VanDerWaalsContact CE1-OG 3.28Å; S108-I110 PolarHBondContact O-N 2.82Å |
| 109 | G | 91.7 | Very high | 96.7 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 44% | 0.443 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -3.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P15 F107 | P15-G109 WeakPolarHBondContact CD-O 3.35Å; F107-G109 PolarHBondContact O-N 3.24Å |
| 110 | I | 94 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 141.7 | 176.6 | -57.4 | 166.4 | 0 | 0 | 0 | 109.4 | L12 F22 L48 L50 L53 S106 F107 S108 | L12-I110 HydrophobicContact CD2-CG2 4.43Å; F22-I110 HydrophobicContact CE1-CG2 4.24Å; F22-I110 HydrophobicContact CZ-CG2 4.2Å; L48-I110 HydrophobicContact CD1-CD1 3.61Å; L50-I110 HydrophobicContact CD1-CD1 3.18Å; L50-I110 HydrophobicContact CD1-CG1 3.5Å; L50-I110 VanDerWaalsContact CD1-CG1 3.5Å; L53-I110 HydrophobicContact CD1-CD1 4.46Å; S106-I110 VanDerWaalsContact CA-O 3.29Å; S106-I110 WeakPolarHBondContact CA-O 3.27Å; S106-I110 PolarHBondContact OG-O 2.87Å; F107-I110 HydrophobicContact CD2-CD1 4.2Å; F107-I110 HydrophobicContact CE2-CB 4.33Å; F107-I110 HydrophobicContact CE2-CD1 3.56Å; F107-I110 HydrophobicContact CE2-CG1 4.5Å; F107-I110 HydrophobicContact CZ-CB 4.36Å; F107-I110 HydrophobicContact CZ-CD1 4.07Å; F107-I110 HydrophobicContact CZ-CG2 4.28Å; F107-I110 PolarHBondContact N-O 2.79Å; F107-I110 VanDerWaalsContact N-O 3.14Å; F107-I110 WeakPolarHBondContact O-CA 3.46Å; F107-I110 WeakPolarHBondContact O-CB 3.43Å; F107-I110 PolarHBondContact O-N 2.87Å; S108-I110 PolarHBondContact O-N 2.82Å |
| 111 | Q | 95.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.9 | 157.8 | -58 | -177.7 | -4.4 | 0 | 0 | 108.6 | Y13 L105 L136 I137 | Y13-Q111 HydrophobicContact CD1-CB 4.18Å; Y13-Q111 HydrophobicContact CD1-CG 4.1Å; Y13-Q111 PolarHBondContact N-O 2.85Å; Y13-Q111 PolarHBondContact O-N 2.69Å; L105-Q111 WeakPolarHBondContact O-CA 3.45Å; Q111-L136 HydrophobicContact CB-CB 4.21Å; Q111-L136 HydrophobicContact CB-CD1 4.47Å; Q111-I137 HydrophobicContact CB-CD1 4.29Å; Q111-I137 HydrophobicContact CB-CG1 4.42Å; Q111-I137 HydrophobicContact CG-CD1 4.42Å; Q111-I137 PolarHBondContact NE2-O 2.65Å |
| 112 | M | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.7 | 179.3 | 174 | -175.4 | -172.4 | 0 | 0 | 109.3 | V10 S11 L12 L38 L105 F107 V114 | V10-M112 HydrophobicContact CG1-CE 3.43Å; V10-M112 VanDerWaalsContact CG1-CE 3.43Å; V10-M112 HydrophobicContact CG1-CG 4.13Å; V10-M112 HydrophobicContact CG1-SD 4.5Å; V10-M112 HydrophobicContact CG2-CE 4.31Å; S11-M112 CarbonylContact O-C 3.49Å; S11-M112 VanDerWaalsContact O-CA 3.28Å; S11-M112 WeakPolarHBondContact O-CA 3.03Å; L12-M112 HydrophobicContact CD2-CB 3.94Å; L12-M112 HydrophobicContact CD2-CG 3.78Å; L12-M112 HydrophobicContact CD2-SD 4.2Å; L38-M112 HydrophobicContact CD1-CE 4.21Å; L38-M112 HydrophobicContact CD1-SD 4.02Å; L105-M112 HydrophobicContact CB-CB 4.07Å; L105-M112 HydrophobicContact CD2-SD 3.96Å; L105-M112 PolarHBondContact N-O 2.76Å; L105-M112 PolarHBondContact O-N 2.93Å; F107-M112 HydrophobicContact CE1-CB 4.24Å; F107-M112 HydrophobicContact CE1-SD 4.05Å; F107-M112 HydrophobicContact CZ-SD 4.34Å; M112-V114 HydrophobicContact CE-CG2 3.58Å; M112-V114 HydrophobicContact CG-CG2 4.19Å; M112-V114 HydrophobicContact SD-CG2 4.38Å |
| 113 | L | 98 | Very high | 96.5 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.2 | 173.7 | -175.9 | 75.9 | 0 | 0 | 0 | 108.1 | V10 S11 V102 N103 R104 R115 L136 | V10-L113 CarbonylContact C-O 3.5Å; V10-L113 WeakPolarHBondContact CA-O 3.27Å; S11-L113 PolarHBondContact N-O 3.4Å; S11-L113 PolarHBondContact O-N 3.39Å; V102-L113 HydrophobicContact CG1-CD1 3.76Å; N103-L113 CarbonylContact O-C 3.54Å; N103-L113 WeakPolarHBondContact O-CA 3.48Å; R104-L113 HydrophobicContact CG-CD1 3.68Å; L113-R115 HydrophobicContact CD2-CG 4.47Å; L113-L136 HydrophobicContact CB-CD1 4.2Å |
| 114 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.7 | 174.5 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | L8 R9 V10 L99 N103 L105 M112 | L8-V114 HydrophobicContact CD2-CG1 4.39Å; R9-V114 WeakPolarHBondContact O-CA 3.4Å; V10-V114 HydrophobicContact CG2-CG2 4.39Å; L99-V114 HydrophobicContact CD1-CG1 4.47Å; N103-V114 HydrophobicContact CB-CB 4.37Å; N103-V114 PolarHBondContact N-O 3.14Å; N103-V114 PolarHBondContact ND2-O 3.07Å; N103-V114 PolarHBondContact O-N 2.92Å; L105-V114 HydrophobicContact CD1-CG2 4.07Å; M112-V114 HydrophobicContact CE-CG2 3.58Å; M112-V114 HydrophobicContact CG-CG2 4.19Å; M112-V114 HydrophobicContact SD-CG2 4.38Å |
| 115 | R | 98.6 | Very high | 96.5 | Very high | 130 Ų | 130 | 40.6 Ų | 40.6 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.9 | 167.8 | -54.3 | -175.5 | 177.7 | -146.1 | -0.2 | 110.1 | L8 R9 T101 V102 L113 | L8-R115 CarbonylContact C-O 3.58Å; L8-R115 WeakPolarHBondContact CA-O 3.33Å; R9-R115 HydrophobicContact CB-CB 4.24Å; R9-R115 PolarHBondContact N-O 2.87Å; R9-R115 PolarHBondContact O-N 2.76Å; T101-R115 CarbonylContact O-C 3.57Å; T101-R115 WeakPolarHBondContact O-CA 3.29Å; V102-R115 HydrophobicContact CG2-CG 4.31Å; L113-R115 HydrophobicContact CD2-CG 4.47Å |
| 116 | V | 98.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 13% | 0.127 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.6 | 178 | -172.2 | 0 | 0 | 0 | 0 | 108.1 | T6 I7 L8 F73 S100 T101 | T6-V116 HydrophobicContact CG2-CG1 4.03Å; I7-V116 WeakPolarHBondContact O-CA 3.46Å; L8-V116 HydrophobicContact CD2-CB 4.29Å; L8-V116 HydrophobicContact CD2-CG1 4.09Å; L8-V116 HydrophobicContact CD2-CG2 3.82Å; F73-V116 HydrophobicContact CD2-CG1 4.32Å; S100-V116 WeakPolarHBondContact O-CG2 3.43Å; T101-V116 PolarHBondContact O-N 3.13Å |
| 117 | E | 98.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.3 | 170.8 | -39.6 | -177.2 | 152.7 | 0 | 0 | 107.9 | T6 I7 R9 | T6-E117 WeakPolarHBondContact CG2-O 3.28Å; I7-E117 HydrophobicContact CB-CB 4.06Å; I7-E117 HydrophobicContact CB-CG 4.35Å; I7-E117 PolarHBondContact N-O 3.41Å; I7-E117 PolarHBondContact O-N 3.39Å; R9-E117 WeakPolarHBondContact CD-OE1 3.47Å; R9-E117 IonicContact CZ-OE1 3.56Å; R9-E117 IonicContact CZ-OE2 3.53Å; R9-E117 VanDerWaalsContact NE-CD 3.28Å; R9-E117 IonicContact NE-OE1 2.69Å; R9-E117 PolarHBondContact NE-OE1 3.2Å; R9-E117 IonicContact NE-OE2 3.32Å; R9-E117 PolarHBondContact NE-OE2 2.79Å; R9-E117 IonicContact NH2-OE1 3.53Å; R9-E117 IonicContact NH2-OE2 2.91Å; R9-E117 PolarHBondContact NH2-OE2 2.84Å |
| 118 | E | 96.1 | Very high | 96.8 | Very high | 147 Ų | 147 | 43 Ų | 43 | 69% | 0.687 | 22% | 0.221 | S | C | * | . | trans | -65.8 | 143.9 | -169.8 | -66.4 | 175.5 | 172.7 | 0 | 0 | 113 | M70 | M70-E118 HydrophobicContact CE-CB 4.37Å; M70-E118 HydrophobicContact SD-CB 3.74Å; M70-E118 HydrophobicContact SD-CG 4Å; M70-E118 VanDerWaalsContact SD-OE2 3.36Å | ||
| 119 | G | 96.8 | Very high | 97 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | trans | -141 | 157.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P4 T6 M70 | P4-G119 CarbonylContact O-C 3.54Å; P4-G119 WeakPolarHBondContact O-CA 3.35Å; T6-G119 PolarHBondContact OG1-N 2.95Å; T6-G119 PolarHBondContact OG1-O 3.15Å; M70-G119 WeakPolarHBondContact CG-O 3.24Å | ||
| 120 | T | 96.7 | Very high | 97.2 | Very high | 58 Ų | 58 | 45 Ų | 45 | 36% | 0.356 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -94.9 | -3.6 | -175.3 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | P4 M70 | P4-T120 WeakPolarHBondContact CD-OG1 3.25Å; P4-T120 HydrophobicContact CG-CG2 4.47Å; P4-T120 WeakPolarHBondContact CG-OG1 3.34Å; P4-T120 PolarHBondContact O-N 3Å; M70-T120 HydrophobicContact CE-CG2 4.44Å |
| 121 | S | 96.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | trans | -72.9 | 130 | 168.5 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | P4 E123 | P4-S121 WeakPolarHBondContact O-CB 3.23Å; P4-S121 PolarHBondContact O-N 3.36Å; S121-E123 PolarHBondContact OG-N 3.27Å | ||
| 122 | L | 96.4 | Very high | 97.1 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 34% | 0.335 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -103.2 | 0.7 | 175.8 | -59 | -176.8 | 0 | 0 | 0 | 112.4 | T33 L64 L71 | T33-L122 WeakPolarHBondContact CG2-O 3.15Å; L64-L122 HydrophobicContact CD1-CD1 4.29Å; L64-L122 HydrophobicContact CD1-CD2 3.86Å; L64-L122 HydrophobicContact CD2-CD1 4.25Å; L71-L122 HydrophobicContact CD2-CD2 4.14Å; L71-L122 HydrophobicContact CG-CD2 4.16Å |
| 123 | E | 96.3 | Very high | 96.8 | Very high | 153 Ų | 153 | 51.9 Ų | 51.9 | 72% | 0.715 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -98.7 | -24.9 | -172.3 | -65 | 174.5 | -169.5 | 0 | 0 | 112.2 | S121 | S121-E123 PolarHBondContact OG-N 3.27Š|
| 124 | A | 97.4 | Very high | 96.6 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 163.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L5 H31 | L5-A124 HydrophobicContact CD2-CB 3.98Å; H31-A124 CarbonylContact O-C 3.59Å; H31-A124 VanDerWaalsContact O-CA 3.23Å; H31-A124 WeakPolarHBondContact O-CA 3.32Å; H31-A124 VanDerWaalsContact O-CB 3.27Å; H31-A124 WeakPolarHBondContact O-CB 3.27Å |
| 125 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 169 | 169.6 | 66.2 | -87.8 | 0 | 0 | 0 | 110.4 | T6 L8 H31 D32 L36 P62 L71 F73 | T6-F125 WeakPolarHBondContact O-CA 3.4Å; T6-F125 WeakPolarHBondContact O-CB 3.47Å; L8-F125 HydrophobicContact CD1-CD2 3.88Å; L8-F125 HydrophobicContact CD1-CE2 3.69Å; L8-F125 HydrophobicContact CG-CD2 4.12Å; L8-F125 HydrophobicContact CG-CE2 4.43Å; H31-F125 HydrophobicContact CB-CD1 4.47Å; H31-F125 HydrophobicContact CB-CE1 3.99Å; H31-F125 HydrophobicContact CB-CE2 4.06Å; H31-F125 HydrophobicContact CB-CZ 3.78Å; H31-F125 AromaticContact CD2-CE1 3.79Å; H31-F125 AromaticContact CD2-CZ 3.59Å; H31-F125 PolarHBondContact N-O 3.22Å; H31-F125 PolarHBondContact O-N 3.32Å; D32-F125 WeakPolarHBondContact O-CD1 3.36Å; D32-F125 WeakPolarHBondContact O-CE1 3.33Å; L36-F125 HydrophobicContact CB-CZ 4.06Å; L36-F125 HydrophobicContact CD2-CE2 4.36Å; P62-F125 HydrophobicContact CB-CE1 4.44Å; P62-F125 HydrophobicContact CG-CE1 3.98Å; L71-F125 HydrophobicContact CD1-CB 4.48Å; F73-F125 AromaticContact CE1-CD1 3.97Å; F73-F125 HydrophobicContact CE1-CD1 3.97Å; F73-F125 HydrophobicContact CE1-CD2 4.08Å; F73-F125 AromaticContact CE1-CE1 3.96Å; F73-F125 HydrophobicContact CE1-CE1 3.96Å; F73-F125 HydrophobicContact CE1-CE2 4.1Å; F73-F125 HydrophobicContact CE1-CG 4Å; F73-F125 HydrophobicContact CE1-CZ 4.02Å; F73-F125 HydrophobicContact CZ-CB 4.01Å; F73-F125 HydrophobicContact CZ-CD1 4.03Å; F73-F125 HydrophobicContact CZ-CD2 4.16Å; F73-F125 HydrophobicContact CZ-CE1 4.49Å; F73-F125 AromaticContact CZ-CG 3.83Å; F73-F125 HydrophobicContact CZ-CG 3.83Å |
| 126 | V | 98.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.7 | 179.2 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | L5 T6 I7 L8 R28 L29 Y128 | L5-V126 HydrophobicContact CB-CG1 4.3Å; L5-V126 HydrophobicContact CD1-CB 4.29Å; L5-V126 HydrophobicContact CD1-CG1 4.47Å; T6-V126 PolarHBondContact O-N 3.25Å; I7-V126 CarbonylContact C-O 3.54Å; I7-V126 WeakPolarHBondContact CA-O 3.39Å; I7-V126 HydrophobicContact CB-CG1 4.23Å; I7-V126 HydrophobicContact CG1-CG1 3.75Å; I7-V126 HydrophobicContact CG2-CG1 4.23Å; L8-V126 PolarHBondContact N-O 3.02Å; R28-V126 HydrophobicContact CG-CG2 3.75Å; L29-V126 CarbonylContact O-C 3.57Å; L29-V126 WeakPolarHBondContact O-CA 3.44Å; V126-Y128 HydrophobicContact CG1-CE2 3.9Å; V126-Y128 HydrophobicContact CG2-CD2 4.44Å; V126-Y128 HydrophobicContact CG2-CE2 3.95Å |
| 127 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.9 | 170.6 | -59.7 | 0 | 0 | 0 | 0 | 110 | L8 R28 L29 F129 | L8-C127 CarbonylContact O-C 3.58Å; L8-C127 VanDerWaalsContact O-CA 3.25Å; L8-C127 WeakPolarHBondContact O-CA 3.44Å; R28-C127 CarbonylContact C-O 3.59Å; R28-C127 VanDerWaalsContact CA-O 3.27Å; R28-C127 WeakPolarHBondContact CA-O 3.29Å; L29-C127 HydrophobicContact CB-CB 4.4Å; L29-C127 PolarHBondContact N-O 3.44Å; L29-C127 PolarHBondContact O-N 3.37Å; C127-F129 HydrophobicContact CB-CD2 4.21Å; C127-F129 HydrophobicContact CB-CE1 4.31Å; C127-F129 HydrophobicContact CB-CE2 3.42Å; C127-F129 VanDerWaalsContact CB-CE2 3.42Å; C127-F129 HydrophobicContact CB-CZ 3.46Å; C127-F129 VanDerWaalsContact CB-CZ 3.46Å |
| 128 | Y | 98.3 | Very high | 94.8 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.2 | 164.2 | -70.7 | -86.1 | 0 | 0 | 0 | 108.9 | I7 L8 V10 P27 R28 V126 | I7-Y128 HydrophobicContact CG2-CD2 3.55Å; I7-Y128 HydrophobicContact CG2-CE2 3.84Å; L8-Y128 PolarHBondContact O-N 2.86Å; V10-Y128 PolarHBondContact N-O 2.72Å; P27-Y128 WeakPolarHBondContact O-CA 3.22Å; R28-Y128 HydrophobicContact CB-CD1 4.27Å; R28-Y128 HydrophobicContact CB-CE1 4.29Å; R28-Y128 HydrophobicContact CG-CD1 4.24Å; R28-Y128 HydrophobicContact CG-CE1 3.93Å; V126-Y128 HydrophobicContact CG1-CE2 3.9Å; V126-Y128 HydrophobicContact CG2-CD2 4.44Å; V126-Y128 HydrophobicContact CG2-CE2 3.95Å |
| 129 | F | 96.9 | Very high | 93.4 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.3 | -177.8 | -59.1 | -86.9 | 0 | 0 | 0 | 110.8 | V10 L12 V25 P26 P27 L29 L46 C127 | V10-F129 HydrophobicContact CB-CD1 3.55Å; V10-F129 HydrophobicContact CB-CE1 3.8Å; V10-F129 HydrophobicContact CB-CG 4.43Å; V10-F129 HydrophobicContact CG1-CD1 3.66Å; V10-F129 HydrophobicContact CG1-CE1 3.88Å; V10-F129 HydrophobicContact CG2-CD1 4.14Å; V10-F129 HydrophobicContact CG2-CE1 3.87Å; V10-F129 CarbonylContact O-C 3.57Å; V10-F129 WeakPolarHBondContact O-CA 3.21Å; L12-F129 HydrophobicContact CD1-CD1 4.46Å; V25-F129 HydrophobicContact CG1-CB 3.46Å; V25-F129 VanDerWaalsContact CG1-CB 3.46Å; V25-F129 HydrophobicContact CG1-CD1 3.85Å; V25-F129 HydrophobicContact CG1-CD2 4.16Å; V25-F129 HydrophobicContact CG1-CG 3.55Å; P26-F129 HydrophobicContact CG-CE2 4.48Å; P26-F129 WeakPolarHBondContact O-CB 3.5Å; P26-F129 WeakPolarHBondContact O-CD2 3.42Å; P27-F129 PolarHBondContact O-N 3.38Å; L29-F129 HydrophobicContact CB-CE2 3.86Å; L46-F129 HydrophobicContact CD1-CD1 4.04Å; L46-F129 HydrophobicContact CD1-CE1 3.66Å; L46-F129 HydrophobicContact CD1-CE2 4.41Å; L46-F129 HydrophobicContact CD1-CZ 3.86Å; L46-F129 HydrophobicContact CD2-CD1 4.35Å; L46-F129 HydrophobicContact CD2-CE1 3.74Å; L46-F129 HydrophobicContact CD2-CZ 4.45Å; L46-F129 HydrophobicContact CG-CE1 4.31Å; C127-F129 HydrophobicContact CB-CD2 4.21Å; C127-F129 HydrophobicContact CB-CE1 4.31Å; C127-F129 HydrophobicContact CB-CE2 3.42Å; C127-F129 VanDerWaalsContact CB-CE2 3.42Å; C127-F129 HydrophobicContact CB-CZ 3.46Å; C127-F129 VanDerWaalsContact CB-CZ 3.46Å |
| 130 | H | 95.4 | Very high | 91.4 | Very high | 107 Ų | 107 | 65 Ų | 65 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.4 | 176.8 | 174.4 | -100.4 | 0 | 0 | 0 | 109.3 | V10 S11 L12 | V10-H130 PolarHBondContact O-N 3.28Å; S11-H130 CarbonylContact C-O 3.54Å; S11-H130 VanDerWaalsContact CA-O 3.23Å; S11-H130 WeakPolarHBondContact CA-O 3.44Å; L12-H130 PolarHBondContact N-O 2.59Å |
| 131 | V | 94.8 | Very high | 89.1 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 30% | 0.303 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.4 | 172.1 | 180 | 0 | 0 | 0 | 0 | 108.1 | L12 P19 F22 | L12-V131 CarbonylContact O-C 3.56Å; L12-V131 WeakPolarHBondContact O-CA 3.16Å; P19-V131 HydrophobicContact CB-CG1 4.32Å; P19-V131 HydrophobicContact CG-CG1 4.41Å; F22-V131 HydrophobicContact CB-CG2 3.67Å; F22-V131 HydrophobicContact CD2-CG1 3.77Å; F22-V131 HydrophobicContact CD2-CG2 4.04Å; F22-V131 HydrophobicContact CE2-CG1 4.36Å; F22-V131 HydrophobicContact CG-CG2 4.09Å |
| 132 | S | 94.1 | Very high | 86.9 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | trans | -78.4 | 136.1 | -179.7 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | L12 S134 | L12-S132 PolarHBondContact O-N 3.21Å; S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 WeakPolarHBondContact CB-O 3.46Å; S132-S134 PolarHBondContact OG-N 2.71Å; S132-S134 PolarHBondContact OG-O 3.34Å | ||
| 133 | P | 91.1 | Very high | 84.7 | Confident | 120 Ų | 120 | 80 Ų | 80 | 78% | 0.779 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -75.9 | -15.8 | 172.4 | 32.4 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 134 | S | 92.3 | Very high | 82.6 | Confident | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -127.9 | 159.5 | -176.5 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | Y13 S132 L136 | Y13-S134 VanDerWaalsContact CD2-C 3.48Å; Y13-S134 VanDerWaalsContact CD2-O 3.27Å; Y13-S134 WeakPolarHBondContact CD2-O 3.17Å; S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 WeakPolarHBondContact CB-O 3.46Å; S132-S134 PolarHBondContact OG-N 2.71Å; S132-S134 PolarHBondContact OG-O 3.34Å; S134-L136 PolarHBondContact O-N 3.42Å |
| 135 | P | 94.3 | Very high | 80.5 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | trans | -52 | 136.3 | 175.6 | -25.7 | 33 | 0 | 0 | 0 | 112.8 | Y13 | Y13-P135 HydrophobicContact CD1-CB 4.41Å; Y13-P135 HydrophobicContact CE1-CB 4Å; Y13-P135 HydrophobicContact CE1-CG 3.87Å; Y13-P135 HydrophobicContact CE2-CG 4.45Å | ||
| 136 | L | 93.8 | Very high | 78.5 | Confident | 27 Ų | 27 | 92.8 Ų | 92.8 | 14% | 0.141 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -88.3 | -26.3 | 178.2 | -64.1 | 174.6 | 0 | 0 | 0 | 112.4 | S11 R104 Q111 L113 S134 | S11-L136 VanDerWaalsContact O-CD1 3.25Å; S11-L136 WeakPolarHBondContact O-CD1 3.22Å; R104-L136 PolarHBondContact NH1-O 2.88Å; Q111-L136 HydrophobicContact CB-CB 4.21Å; Q111-L136 HydrophobicContact CB-CD1 4.47Å; L113-L136 HydrophobicContact CB-CD1 4.2Å; S134-L136 PolarHBondContact O-N 3.42Å |
| 137 | I | 89.6 | Confident | 76.5 | Confident | 34 Ų | 34 | 100.4 Ų | 100.4 | 17% | 0.174 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -121.6 | 110.1 | -177 | -54.9 | 174.4 | 0 | 0 | 0 | 106.9 | R104 L105 Q111 | R104-I137 HydrophobicContact CB-CD1 3.97Å; R104-I137 HydrophobicContact CB-CG1 4.12Å; R104-I137 HydrophobicContact CG-CG1 4.47Å; L105-I137 WeakPolarHBondContact O-CD1 3.27Å; Q111-I137 HydrophobicContact CB-CD1 4.29Å; Q111-I137 HydrophobicContact CB-CG1 4.42Å; Q111-I137 HydrophobicContact CG-CD1 4.42Å; Q111-I137 PolarHBondContact NE2-O 2.65Å |
| 138 | Y | 78.8 | Confident | 74.5 | Confident | 195 Ų | 195 | 111.5 Ų | 111.5 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | trans | -77.8 | 121.7 | 171 | -172.9 | -106 | 0 | 0 | 0 | 108.5 | P140 | Y138-P140 HydrophobicContact CD1-CG 4.02Å; Y138-P140 HydrophobicContact CE1-CB 3.97Å; Y138-P140 HydrophobicContact CE1-CG 3.78Å | ||
| 139 | R | 66.1 | Low | 72.3 | Confident | 177 Ų | 177 | 116.9 Ų | 116.9 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | trans | -102.6 | 114.7 | 160.2 | -77 | -175 | 172.9 | -175.7 | -3.6 | 105.4 | E141 | R139-E141 PolarHBondContact O-N 3.3Š| ||
| 140 | P | 54.8 | Low | 70.3 | Confident | 91 Ų | 91 | 119.2 Ų | 119.2 | 59% | 0.591 | 62% | 0.618 | S | S | * | * | trans | -54.9 | 127.7 | 161.9 | -12.1 | 24.6 | 0 | 0 | 0 | 106.4 | Y138 A142 | Y138-P140 HydrophobicContact CD1-CG 4.02Å; Y138-P140 HydrophobicContact CE1-CB 3.97Å; Y138-P140 HydrophobicContact CE1-CG 3.78Å; P140-A142 PolarHBondContact O-N 3.21Å; P140-A142 VanDerWaalsContact O-N 3.17Å | ||
| 141 | E | 48.9 | Very low | 68 | Low | 182 Ų | 182 | 121.3 Ų | 121.3 | 85% | 0.85 | 63% | 0.631 | S | S | * | * | trans | -57.6 | 120.6 | 162.3 | -72.7 | 163.1 | 175.7 | 0 | 0 | 105.2 | R139 E143 | R139-E141 PolarHBondContact O-N 3.3Å; E141-E143 PolarHBondContact O-N 3.42Å | ||
| 142 | A | 51.3 | Low | 65.9 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | trans | -65.3 | 109.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | P140 E144 | P140-A142 PolarHBondContact O-N 3.21Å; P140-A142 VanDerWaalsContact O-N 3.17Å; A142-E144 VanDerWaalsContact C-N 3.3Å; A142-E144 PolarHBondContact O-N 3.37Å | ||
| 143 | E | 48.9 | Very low | 63.8 | Low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | -62.3 | 102 | 160.4 | -76.4 | 178.5 | 157.2 | 0 | 0 | 105.5 | E141 T145 | E141-E143 PolarHBondContact O-N 3.42Å; E143-T145 PolarHBondContact O-N 3.33Å | ||
| 144 | E | 52.6 | Low | 61.9 | Low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -64.7 | 92.3 | 165.5 | -69.1 | -176.8 | 172 | 0 | 0 | 106.2 | A142 D146 | A142-E144 VanDerWaalsContact C-N 3.3Å; A142-E144 PolarHBondContact O-N 3.37Å; E144-D146 PolarHBondContact O-N 3.27Å | ||
| 145 | T | 53.4 | Low | 60.2 | Low | 106 Ų | 106 | 141.7 Ų | 141.7 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | trans | -80.1 | 106.9 | 164.3 | 51.4 | 0 | 0 | 0 | 0 | 107.1 | E143 E147 | E143-T145 PolarHBondContact O-N 3.33Å; T145-E147 PolarHBondContact O-N 3.21Å | ||
| 146 | D | 55.4 | Low | 58.6 | Low | 155 Ų | 155 | 143.5 Ų | 143.5 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | trans | -65.1 | 54.3 | 172.9 | -78.8 | -31.3 | 0 | 0 | 0 | 112.3 | E144 W148 | E144-D146 PolarHBondContact O-N 3.27Å; D146-W148 PolarHBondContact O-N 3.38Å | ||
| 147 | E | 58 | Low | 57 | Low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | -96.8 | 60 | 173 | -64 | -150.3 | 171.5 | 0 | 0 | 110.8 | T145 | T145-E147 PolarHBondContact O-N 3.21Š| ||
| 148 | W | 56.7 | Low | 55.5 | Low | 233 Ų | 233 | 152.1 Ų | 152.1 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -140 | 62.1 | 164.3 | -83.8 | 105.8 | 0 | 0 | 0 | 111.6 | D146 I151 | D146-W148 PolarHBondContact O-N 3.38Å; W148-I151 HydrophobicContact CZ3-CD1 4.47Å | ||
| 149 | E | 52.1 | Low | 54.1 | Low | 197 Ų | 197 | 146.4 Ų | 146.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -134.2 | 117.6 | 155.9 | -73.1 | -166.4 | 160 | 0 | 0 | 109.6 | ||||
| 150 | G | 53.4 | Low | 53.4 | Low | 73 Ų | 73 | 144.2 Ų | 144.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 149.9 | 36.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 151 | I | 48 | Very low | 53.1 | Low | 151 Ų | 151 | 143.2 Ų | 143.2 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | -101.5 | 85.3 | 155.9 | -40.5 | 175.7 | 0 | 0 | 0 | 106.5 | W148 Q153 | W148-I151 HydrophobicContact CZ3-CD1 4.47Å; I151-Q153 PolarHBondContact O-N 2.79Å | ||
| 152 | S | 51 | Low | 52.7 | Low | 109 Ų | 109 | 147.6 Ų | 147.6 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 124.8 | 172.4 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | E154 | S152-E154 PolarHBondContact O-N 2.91Š|
| 153 | Q | 48.3 | Very low | 52.8 | Low | 191 Ų | 191 | 150.5 Ų | 150.5 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -62 | 117.6 | 168.6 | -72.3 | -167 | -58.6 | 0 | 0 | 109.2 | I151 Q155 | I151-Q153 PolarHBondContact O-N 2.79Å; Q153-Q155 PolarHBondContact O-N 2.99Å |
| 154 | E | 52 | Low | 53 | Low | 193 Ų | 193 | 149.2 Ų | 149.2 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116.2 | 168.7 | -159 | 154.8 | 111.7 | 0 | 0 | 108.4 | S152 | S152-E154 PolarHBondContact O-N 2.91Š|
| 155 | Q | 56 | Low | 53 | Low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 138.8 | 174.4 | -77.4 | -178.7 | -70.9 | 0 | 0 | 110.1 | Q153 | Q153-Q155 PolarHBondContact O-N 2.99Š|
| 156 | P | 61.3 | Low | 53 | Low | 113 Ų | 113 | 150.2 Ų | 150.2 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 149.7 | 173 | 31 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 157 | P | 61 | Low | 52.8 | Low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 146.1 | -176.9 | 27.6 | -32.7 | 0 | 0 | 0 | 111.2 | G159 | P157-G159 PolarHBondContact O-N 3.04Š|
| 158 | P | 56.7 | Low | 52.5 | Low | 128 Ų | 128 | 148.9 Ų | 148.9 | 83% | 0.831 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 128.6 | 173.9 | 27.5 | -30.9 | 0 | 0 | 0 | 109.4 | S160 | P158-S160 PolarHBondContact O-N 3.17Š|
| 159 | G | 50.3 | Low | 52.2 | Low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P157 G161 | P157-G159 PolarHBondContact O-N 3.04Å; G159-G161 PolarHBondContact O-N 3.38Å |
| 160 | S | 50.3 | Low | 52.2 | Low | 130 Ų | 130 | 138.8 Ų | 138.8 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -70.1 | 103.2 | 167.6 | 25.5 | 0 | 0 | 0 | 0 | 109.5 | P158 | P158-S160 PolarHBondContact O-N 3.17Š| ||
| 161 | G | 49.8 | Very low | 52.1 | Low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 85% | 0.849 | S | S | * | * | trans | -113.1 | 93 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | G159 | G159-G161 PolarHBondContact O-N 3.38Š| ||
| 162 | Q | 40.7 | Very low | 52.5 | Low | 273 Ų | 273 | 143.6 Ų | 143.6 | 100% | 1.276 | 86% | 0.855 | S | S | * | * | trans | 176.9 | 0 | 132.4 | -95.6 | -170 | 9.3 | 0 | 0 | 110.3 |
Retrieved 162 of 162 residues in 51.6 ms
(Link to these results)